MSEPUB-Part 1 of 2.txt

TABLE OF CONTENTS -- DATABANK:MSEPUB

DB Version 1 V-9.0.9 24-MAY-13 DB Version 2 V-9.0.11 16-AUG-13

Species Changed from 1 to 2 Page

ANTHRACEN BENZENE BUTENE1 C10H22 -------- 1 C11H24 -------- 1 C12H26 C13H28 C14H30 C15H32 -------- 2 C16H34 -------- 2 C17H36 C18H38 C19H40 C20H42 -------- 3 C2H4 -------- 3 C2H5SION C2H6 C3H6 C3H7SH -------- 4 C3H7SION C3H8 -------- 4 C4H10 C5H12 C6H14 C7H16 -------- 5 C8H18 -------- 5 C9H20 CBUTEN CH4 CUMENE -------- 6 CYCLOHEXAN -------- 6 DOCOSAN DOCTRIACON ETBNZ ETMCAPTAN -------- 7 HENEICOSAN -------- 7 HENTRIACNT HPTCOSAN HXCOSAN HXTACONTAN -------- 8 IPENTAN -------- 8 ISOBUTANE ISOBUTENE MXYLENE NAALO2.2.5H2O -------- 9 NAPHTHALEN -------- 9 NEOPENTANE NONACOSAN OCTACOSAN OXYLENE -------- 10 PENTCOSAN -------- 10 PENTTRIACT PHENANTHR PXYLENE SB2O3 -------- 11 SB2O5 -------- 11 SBEL SBOH2ION SBOH3 SBOH4ION -------- 12 SBOH5 -------- 12 TBUTEN TETRTRIACT TOLUENE TRICONTAN -------- 13 TRICOSAN -------- 13 TTACONT TTCOSAN -------- 14

New Species from 1 to 2

New species -------- 15

Changed Species Interaction data from 1 to 2

ANTHRACEN - CAION ANTHRACEN - CLION -------- 16 ANTHRACEN - CO3ION ANTHRACEN - H2O -------- 16 ANTHRACEN - KION ANTHRACEN - LIION -------- 16 ANTHRACEN - MGION ANTHRACEN - NAION -------- 16 ANTHRACEN - NH4ION ANTHRACEN - NO3ION -------- 16 ANTHRACEN - OHION ANTHRACEN - SO4ION -------- 16 BENZENE - CAION BENZENE - CLION -------- 16 BENZENE - CO3ION -------- 16 BENZENE - CO3ION BENZENE - H2O -------- 17 BENZENE - H3OION BENZENE - KION -------- 17 BENZENE - LIION BENZENE - MGION -------- 17 BENZENE - NAION BENZENE - NH4ION -------- 17 BENZENE - NO3ION BENZENE - OHION -------- 17 BRION - CH4 BUTENE1 - CAION -------- 17 BUTENE1 - CLION BUTENE1 - CO3ION -------- 17 BUTENE1 - H2O -------- 17

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MSEPUB-Part 1 of 2.txt BUTENE1 - H2O BUTENE1 - H3OION -------- 18 BUTENE1 - HSO4ION BUTENE1 - KION -------- 18 BUTENE1 - LIION BUTENE1 - MGION -------- 18 BUTENE1 - NAION BUTENE1 - NH4ION -------- 18 BUTENE1 - NO3ION BUTENE1 - OHION -------- 18 BUTENE1 - SO4ION C10H22 - CAION -------- 18 C10H22 - CLION C10H22 - CO3ION -------- 18 C10H22 - H2O C10H22 - H3OION -------- 18 C10H22 - H3OION C10H22 - HSO4ION -------- 19 C10H22 - KION C10H22 - LIION -------- 19 C10H22 - MGION C10H22 - NAION -------- 19 C10H22 - NH4ION C10H22 - NO3ION -------- 19 C10H22 - OHION C10H22 - SO4ION -------- 19 C11H24 - CAION C11H24 - CLION -------- 19 C11H24 - CO3ION C11H24 - H2O -------- 19 C11H24 - H3OION C11H24 - HSO4ION -------- 19 C11H24 - HSO4ION C11H24 - KION -------- 20 C11H24 - LIION C11H24 - MGION -------- 20 C11H24 - NAION C11H24 - NH4ION -------- 20 C11H24 - NO3ION C11H24 - OHION -------- 20 C11H24 - SO4ION C12H26 - CAION -------- 20 C12H26 - CLION C12H26 - CO3ION -------- 20 C12H26 - H2O C12H26 - H3OION -------- 20 C12H26 - HSO4ION C12H26 - KION -------- 20 C12H26 - KION C12H26 - LIION -------- 21 C12H26 - MGION C12H26 - NAION -------- 21 C12H26 - NH4ION C12H26 - NO3ION -------- 21 C12H26 - OHION C12H26 - SO4ION -------- 21 C13H28 - CAION C13H28 - CLION -------- 21 C13H28 - CO3ION C13H28 - H2O -------- 21 C13H28 - H3OION C13H28 - HSO4ION -------- 21 C13H28 - KION C13H28 - LIION -------- 21 C13H28 - LIION C13H28 - MGION -------- 22 C13H28 - NAION C13H28 - NH4ION -------- 22 C13H28 - NO3ION C13H28 - OHION -------- 22 C13H28 - SO4ION C14H30 - CAION -------- 22 C14H30 - CLION C14H30 - CO3ION -------- 22 C14H30 - H2O C14H30 - H3OION -------- 22 C14H30 - HSO4ION C14H30 - KION -------- 22 C14H30 - LIION C14H30 - MGION -------- 22 C14H30 - MGION C14H30 - NAION -------- 23 C14H30 - NH4ION C14H30 - NO3ION -------- 23 C14H30 - OHION C14H30 - SO4ION -------- 23 C15H32 - CAION C15H32 - CLION -------- 23 C15H32 - CO3ION C15H32 - H2O -------- 23 C15H32 - H3OION C15H32 - HSO4ION -------- 23 C15H32 - KION C15H32 - LIION -------- 23 C15H32 - MGION C15H32 - NAION -------- 23 C15H32 - NAION C15H32 - NH4ION -------- 24 C15H32 - NO3ION C15H32 - OHION -------- 24 C15H32 - SO4ION C16H34 - CAION -------- 24 C16H34 - CLION C16H34 - CO3ION -------- 24 C16H34 - H2O C16H34 - H3OION -------- 24 C16H34 - HSO4ION C16H34 - KION -------- 24 C16H34 - LIION C16H34 - MGION -------- 24 C16H34 - NAION C16H34 - NH4ION -------- 24 C16H34 - NH4ION C16H34 - NO3ION -------- 25 C16H34 - OHION C16H34 - SO4ION -------- 25 C17H36 - CAION C17H36 - CLION -------- 25 C17H36 - CO3ION C17H36 - H2O -------- 25 C17H36 - H3OION C17H36 - HSO4ION -------- 25 C17H36 - KION C17H36 - LIION -------- 25 C17H36 - MGION C17H36 - NAION -------- 25

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MSEPUB-Part 1 of 2.txt C17H36 - NH4ION C17H36 - NO3ION -------- 25 C17H36 - NO3ION C17H36 - OHION -------- 26 C17H36 - SO4ION C18H38 - CAION -------- 26 C18H38 - CLION C18H38 - CO3ION -------- 26 C18H38 - H2O C18H38 - H3OION -------- 26 C18H38 - HSO4ION C18H38 - KION -------- 26 C18H38 - LIION C18H38 - MGION -------- 26 C18H38 - NAION C18H38 - NH4ION -------- 26 C18H38 - NO3ION C18H38 - OHION -------- 26 C18H38 - OHION C18H38 - SO4ION -------- 27 C19H40 - CAION C19H40 - CLION -------- 27 C19H40 - CO3ION C19H40 - H2O -------- 27 C19H40 - H3OION C19H40 - HSO4ION -------- 27 C19H40 - KION C19H40 - LIION -------- 27 C19H40 - MGION C19H40 - NAION -------- 27 C19H40 - NH4ION C19H40 - NO3ION -------- 27 C19H40 - OHION C19H40 - SO4ION -------- 27 C19H40 - SO4ION C20H42 - CAION -------- 28 C20H42 - CLION C20H42 - CO3ION -------- 28 C20H42 - H2O C20H42 - H3OION -------- 28 C20H42 - HSO4ION C20H42 - KION -------- 28 C20H42 - LIION C20H42 - MGION -------- 28 C20H42 - NAION C20H42 - NH4ION -------- 28 C20H42 - NO3ION C20H42 - OHION -------- 28 C20H42 - SO4ION C2H4 - CAION -------- 28 C2H4 - CAION C2H4 - CLION -------- 29 C2H4 - CO3ION C2H4 - H2O -------- 29 C2H4 - H3OION C2H4 - HSO4ION -------- 29 C2H4 - KION C2H4 - LIION -------- 29 C2H4 - MGION -------- 29 C2H4 - MGION C2H4 - NAION -------- 30 C2H4 - NH4ION C2H4 - NO3ION -------- 30 C2H4 - OHION C2H4 - SO4ION -------- 30 C2H6 - CAION C2H6 - CLION -------- 30 C2H6 - CO3ION C2H6 - H2O -------- 30 C2H6 - H2O C2H6 - H3OION -------- 31 C2H6 - HSO4ION C2H6 - KION -------- 31 C2H6 - LIION C2H6 - MGION -------- 31 C2H6 - NAION C2H6 - NH4ION -------- 31 C2H6 - NO3ION -------- 31 C2H6 - NO3ION C2H6 - OHION -------- 32 C2H6 - SO4ION C3H6 - CAION -------- 32 C3H6 - CLION C3H6 - CO3ION -------- 32 C3H6 - H2O C3H6 - H3OION -------- 32 C3H6 - HSO4ION C3H6 - KION -------- 32 C3H6 - LIION C3H6 - MGION -------- 32 C3H6 - NAION -------- 32 C3H6 - NAION C3H6 - NH4ION -------- 33 C3H6 - NO3ION C3H6 - OHION -------- 33 C3H6 - SO4ION C3H7SH - H2O -------- 33 C3H8 - CAION C3H8 - CLION -------- 33 C3H8 - CO3ION C3H8 - H2O -------- 33 C3H8 - H3OION C3H8 - HSO4ION -------- 33 C3H8 - KION C3H8 - LIION -------- 33 C3H8 - LIION C3H8 - MGION -------- 34 C3H8 - NAION C3H8 - NH4ION -------- 34 C3H8 - NO3ION C3H8 - OHION -------- 34 C3H8 - SO4ION C4H10 - CAION -------- 34 C4H10 - CLION C4H10 - CO3ION -------- 34 C4H10 - H2O C4H10 - H3OION -------- 34 C4H10 - HSO4ION C4H10 - KION -------- 34 C4H10 - LIION -------- 34 C4H10 - LIION C4H10 - MGION -------- 35

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MSEPUB-Part 1 of 2.txt C4H10 - NAION C4H10 - NH4ION -------- 35 C4H10 - NO3ION C4H10 - OHION -------- 35 C4H10 - SO4ION C5H12 - CAION -------- 35 C5H12 - CLION C5H12 - CO3ION -------- 35 C5H12 - H2O C5H12 - H3OION -------- 35 C5H12 - HSO4ION C5H12 - KION -------- 35 C5H12 - LIION C5H12 - MGION -------- 35 C5H12 - MGION C5H12 - NAION -------- 36 C5H12 - NH4ION C5H12 - NO3ION -------- 36 C5H12 - OHION C5H12 - SO4ION -------- 36 C6H14 - CAION C6H14 - CLION -------- 36 C6H14 - CO3ION C6H14 - H2O -------- 36 C6H14 - H3OION C6H14 - HSO4ION -------- 36 C6H14 - KION C6H14 - LIION -------- 36 C6H14 - MGION C6H14 - NAION -------- 36 C6H14 - NAION C6H14 - NH4ION -------- 37 C6H14 - NO3ION C6H14 - OHION -------- 37 C6H14 - SO4ION C6H14 - TOLUENE -------- 37 C7H16 - CAION C7H16 - CLION -------- 37 C7H16 - CO3ION C7H16 - H2O -------- 37 C7H16 - H3OION C7H16 - HSO4ION -------- 37 C7H16 - KION C7H16 - LIION -------- 37 C7H16 - MGION -------- 37 C7H16 - MGION C7H16 - NAION -------- 38 C7H16 - NH4ION C7H16 - NO3ION -------- 38 C7H16 - OHION C7H16 - SO4ION -------- 38 C8H18 - CAION C8H18 - CLION -------- 38 C8H18 - CO3ION C8H18 - H2O -------- 38 C8H18 - H3OION C8H18 - HSO4ION -------- 38 C8H18 - KION C8H18 - LIION -------- 38 C8H18 - MGION C8H18 - NAION -------- 38 C8H18 - NAION C8H18 - NH4ION -------- 39 C8H18 - NO3ION C8H18 - OHION -------- 39 C8H18 - SO4ION C9H20 - CAION -------- 39 C9H20 - CLION C9H20 - CO3ION -------- 39 C9H20 - H2O C9H20 - H3OION -------- 39 C9H20 - HSO4ION C9H20 - KION -------- 39 C9H20 - LIION C9H20 - MGION -------- 39 C9H20 - NAION C9H20 - NH4ION -------- 39 C9H20 - NH4ION C9H20 - NO3ION -------- 40 C9H20 - OHION C9H20 - SO4ION -------- 40 CAION - CBUTEN CAION - CH4 -------- 40 CAION - CUMENE CAION - CYCLOHEXAN -------- 40 CAION - DOCOSAN CAION - DOCTRIACON -------- 40 CAION - ETBNZ CAION - HENEICOSAN -------- 40 CAION - HENTRIACNT CAION - HPTCOSAN -------- 40 CAION - HXCOSAN CAION - HXTACONTAN -------- 40 CAION - IPENTAN -------- 40 CAION - IPENTAN CAION - ISOBUTANE -------- 41 CAION - ISOBUTENE CAION - MXYLENE -------- 41 CAION - NAPHTHALEN CAION - NEOPENTANE -------- 41 CAION - NONACOSAN CAION - OCTACOSAN -------- 41 CAION - OXYLENE CAION - PENTCOSAN -------- 41 CAION - PENTTRIACT CAION - PHENANTHR -------- 41 CAION - PXYLENE CAION - TBUTEN -------- 41 CAION - TETRTRIACT CAION - TOLUENE -------- 41 CAION - TRICONTAN CAION - TRICOSAN -------- 41 CAION - TRICOSAN CAION - TTACONT -------- 42 CAION - TTCOSAN CBUTEN - CLION -------- 42 CBUTEN - CO3ION CBUTEN - H2O -------- 42 CBUTEN - H3OION CBUTEN - HSO4ION -------- 42 CBUTEN - KION CBUTEN - LIION -------- 42 CBUTEN - MGION CBUTEN - NAION -------- 42

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MSEPUB-Part 1 of 2.txt CBUTEN - NH4ION CBUTEN - NO3ION -------- 42 CBUTEN - OHION CBUTEN - SO4ION -------- 42 CBUTEN - SO4ION CH4 - CLION -------- 43 CH4 - CO3ION CH4 - H2O -------- 43 CH4 - H3OION CH4 - HCO3ION -------- 43 CH4 - HSO4ION CH4 - KION -------- 43 CH4 - LIION -------- 43 CH4 - LIION CH4 - MGION -------- 44 CH4 - NAION CH4 - NH4ION -------- 44 CH4 - NO3ION CH4 - OHION -------- 44 CH4 - SO4ION CLION - CUMENE -------- 44 CLION - CYCLOHEXAN CLION - DOCOSAN -------- 44 CLION - DOCTRIACON CLION - ETBNZ -------- 44 CLION - ETBNZ CLION - HENEICOSAN -------- 45 CLION - HENTRIACNT CLION - HPTCOSAN -------- 45 CLION - HXCOSAN CLION - HXTACONTAN -------- 45 CLION - IPENTAN CLION - ISOBUTANE -------- 45 CLION - ISOBUTENE CLION - MXYLENE -------- 45 CLION - NEOPENTANE CLION - NONACOSAN -------- 45 CLION - OCTACOSAN CLION - OXYLENE -------- 45 CLION - PENTCOSAN CLION - PENTTRIACT -------- 45 CLION - PHENANTHR CLION - PXYLENE -------- 45 CLION - PXYLENE CLION - TBUTEN -------- 46 CLION - TETRTRIACT CLION - TOLUENE -------- 46 CLION - TRICONTAN CLION - TRICOSAN -------- 46 CLION - TTACONT CLION - TTCOSAN -------- 46 CO3ION - CUMENE CO3ION - CYCLOHEXAN -------- 46 CO3ION - DOCOSAN CO3ION - DOCTRIACON -------- 46 CO3ION - ETBNZ CO3ION - HENEICOSAN -------- 46 CO3ION - HENTRIACNT CO3ION - HPTCOSAN -------- 46 CO3ION - HXCOSAN CO3ION - HXTACONTAN -------- 46 CO3ION - HXTACONTAN CO3ION - IPENTAN -------- 47 CO3ION - ISOBUTANE CO3ION - ISOBUTENE -------- 47 CO3ION - MXYLENE CO3ION - NEOPENTANE -------- 47 CO3ION - NONACOSAN CO3ION - OCTACOSAN -------- 47 CO3ION - OXYLENE CO3ION - PENTCOSAN -------- 47 CO3ION - PENTTRIACT CO3ION - PHENANTHR -------- 47 CO3ION - PXYLENE CO3ION - TBUTEN -------- 47 CO3ION - TETRTRIACT CO3ION - TOLUENE -------- 47 CO3ION - TRICONTAN CO3ION - TRICOSAN -------- 47 CO3ION - TRICOSAN CO3ION - TTACONT -------- 48 CO3ION - TTCOSAN CUMENE - H2O -------- 48 CUMENE - KION CUMENE - LIION -------- 48 CUMENE - MGION CUMENE - NAION -------- 48 CUMENE - NH4ION CUMENE - NO3ION -------- 48 CUMENE - OHION CUMENE - SO4ION -------- 48 CYCLOHEXAN - H2O CYCLOHEXAN - H3OION -------- 48 CYCLOHEXAN - H3OION CYCLOHEXAN - HSO4ION -------- 49 CYCLOHEXAN - KION CYCLOHEXAN - LIION -------- 49 CYCLOHEXAN - MGION CYCLOHEXAN - NAION -------- 49 CYCLOHEXAN - NH4ION CYCLOHEXAN - NO3ION -------- 49 CYCLOHEXAN - OHION CYCLOHEXAN - SO4ION -------- 49 DOCOSAN - H2O DOCOSAN - H3OION -------- 49 DOCOSAN - HSO4ION DOCOSAN - KION -------- 49 DOCOSAN - LIION -------- 49 DOCOSAN - LIION DOCOSAN - MGION -------- 50 DOCOSAN - NAION DOCOSAN - NH4ION -------- 50 DOCOSAN - NO3ION DOCOSAN - OHION -------- 50 DOCOSAN - SO4ION DOCTRIACON - H2O -------- 50 DOCTRIACON - H3OION DOCTRIACON - HSO4ION -------- 50 DOCTRIACON - KION DOCTRIACON - LIION -------- 50 DOCTRIACON - MGION DOCTRIACON - NAION -------- 50 DOCTRIACON - NH4ION DOCTRIACON - NO3ION -------- 50

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MSEPUB-Part 1 of 2.txt DOCTRIACON - NO3ION DOCTRIACON - OHION -------- 51 DOCTRIACON - SO4ION ETBNZ - H2O -------- 51 ETBNZ - KION ETBNZ - LIION -------- 51 ETBNZ - MGION ETBNZ - NAION -------- 51 ETBNZ - NH4ION ETBNZ - NO3ION -------- 51 ETBNZ - OHION ETBNZ - SO4ION -------- 51 ETMCAPTAN - H2O H2O - HENEICOSAN -------- 51 H2O - HENEICOSAN H2O - HENTRIACNT -------- 52 H2O - HPTCOSAN H2O - HXCOSAN -------- 52 H2O - HXTACONTAN H2O - IPENTAN -------- 52 H2O - ISOBUTANE H2O - ISOBUTENE -------- 52 H2O - ISOBUTENE H2O - MXYLENE -------- 53 H2O - NAPHTHALEN H2O - NEOPENTANE -------- 53 H2O - NONACOSAN H2O - OCTACOSAN -------- 53 H2O - OXYLENE H2O - PENTCOSAN -------- 53 H2O - PENTCOSAN H2O - PENTTRIACT -------- 54 H2O - PHENANTHR H2O - PXYLENE -------- 54 H2O - TBUTEN H2O - TETRTRIACT -------- 54 H2O - TOLUENE H2O - TRICONTAN -------- 54 H2O - TRICONTAN H2O - TRICOSAN -------- 55 H2O - TTACONT H2O - TTCOSAN -------- 55 H3OION - HENEICOSAN H3OION - HENTRIACNT -------- 55 H3OION - HPTCOSAN H3OION - HXCOSAN -------- 55 H3OION - HXTACONTAN H3OION - IPENTAN -------- 55 H3OION - ISOBUTANE -------- 55 H3OION - ISOBUTANE H3OION - ISOBUTENE -------- 56 H3OION - NAPHTHALEN H3OION - NEOPENTANE -------- 56 H3OION - NONACOSAN H3OION - OCTACOSAN -------- 56 H3OION - PENTCOSAN H3OION - PENTTRIACT -------- 56 H3OION - TBUTEN H3OION - TETRTRIACT -------- 56 H3OION - TRICONTAN H3OION - TRICOSAN -------- 56 H3OION - TTACONT H3OION - TTCOSAN -------- 56 H3OION - TTCOSAN HCO3ION - NAPHTHALEN -------- 57 HENEICOSAN - HSO4ION HENEICOSAN - KION -------- 57 HENEICOSAN - LIION HENEICOSAN - MGION -------- 57 HENEICOSAN - NAION HENEICOSAN - NH4ION -------- 57 HENEICOSAN - NO3ION HENEICOSAN - OHION -------- 57 HENEICOSAN - SO4ION HENTRIACNT - HSO4ION -------- 57 HENTRIACNT - KION HENTRIACNT - LIION -------- 57 HENTRIACNT - MGION HENTRIACNT - NAION -------- 57 HENTRIACNT - NH4ION -------- 57 HENTRIACNT - NH4ION HENTRIACNT - NO3ION -------- 58 HENTRIACNT - OHION HENTRIACNT - SO4ION -------- 58 HPTCOSAN - HSO4ION HPTCOSAN - KION -------- 58 HPTCOSAN - LIION HPTCOSAN - MGION -------- 58 HPTCOSAN - NAION HPTCOSAN - NH4ION -------- 58 HPTCOSAN - NO3ION HPTCOSAN - OHION -------- 58 HPTCOSAN - SO4ION HSO4ION - HXCOSAN -------- 58 HSO4ION - HXTACONTAN HSO4ION - IPENTAN -------- 58 HSO4ION - ISOBUTANE -------- 58 HSO4ION - ISOBUTANE HSO4ION - ISOBUTENE -------- 59 HSO4ION - NEOPENTANE HSO4ION - NONACOSAN -------- 59 HSO4ION - OCTACOSAN HSO4ION - PENTCOSAN -------- 59 HSO4ION - PENTTRIACT HSO4ION - TBUTEN -------- 59 HSO4ION - TETRTRIACT HSO4ION - TRICONTAN -------- 59 HSO4ION - TRICOSAN HSO4ION - TTACONT -------- 59 HSO4ION - TTCOSAN HXCOSAN - KION -------- 59 HXCOSAN - KION HXCOSAN - LIION -------- 60 HXCOSAN - MGION HXCOSAN - NAION -------- 60 HXCOSAN - NH4ION HXCOSAN - NO3ION -------- 60 HXCOSAN - OHION HXCOSAN - SO4ION -------- 60 HXTACONTAN - KION HXTACONTAN - LIION -------- 60 HXTACONTAN - MGION HXTACONTAN - NAION -------- 60

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MSEPUB-Part 1 of 2.txt HXTACONTAN - NH4ION HXTACONTAN - NO3ION -------- 60 HXTACONTAN - OHION HXTACONTAN - SO4ION -------- 60 IPENTAN - KION IPENTAN - LIION -------- 60 IPENTAN - LIION IPENTAN - MGION -------- 61 IPENTAN - NAION IPENTAN - NH4ION -------- 61 IPENTAN - NO3ION IPENTAN - OHION -------- 61 IPENTAN - SO4ION ISOBUTANE - KION -------- 61 ISOBUTANE - LIION ISOBUTANE - MGION -------- 61 ISOBUTANE - NAION ISOBUTANE - NH4ION -------- 61 ISOBUTANE - NO3ION ISOBUTANE - OHION -------- 61 ISOBUTANE - SO4ION ISOBUTENE - KION -------- 61 ISOBUTENE - LIION ISOBUTENE - MGION -------- 61 ISOBUTENE - MGION ISOBUTENE - NAION -------- 62 ISOBUTENE - NH4ION ISOBUTENE - NO3ION -------- 62 ISOBUTENE - OHION ISOBUTENE - SO4ION -------- 62 KION - MXYLENE KION - NAPHTHALEN -------- 62 KION - NEOPENTANE KION - NONACOSAN -------- 62 KION - OCTACOSAN KION - OXYLENE -------- 62 KION - PENTCOSAN KION - PENTTRIACT -------- 62 KION - PHENANTHR KION - PXYLENE -------- 62 KION - TBUTEN KION - TETRTRIACT -------- 62 KION - TETRTRIACT KION - TOLUENE -------- 63 KION - TRICONTAN KION - TRICOSAN -------- 63 KION - TTACONT KION - TTCOSAN -------- 63 LIION - MXYLENE LIION - NAPHTHALEN -------- 63 LIION - NEOPENTANE LIION - NONACOSAN -------- 63 LIION - OCTACOSAN LIION - OXYLENE -------- 63 LIION - PENTCOSAN LIION - PENTTRIACT -------- 63 LIION - PHENANTHR LIION - PXYLENE -------- 63 LIION - TBUTEN LIION - TETRTRIACT -------- 63 LIION - TETRTRIACT LIION - TOLUENE -------- 64 LIION - TRICONTAN LIION - TRICOSAN -------- 64 LIION - TTACONT LIION - TTCOSAN -------- 64 MGION - MXYLENE MGION - NAPHTHALEN -------- 64 MGION - NEOPENTANE MGION - NONACOSAN -------- 64 MGION - OCTACOSAN MGION - OXYLENE -------- 64 MGION - PENTCOSAN MGION - PENTTRIACT -------- 64 MGION - PHENANTHR MGION - PXYLENE -------- 64 MGION - TBUTEN MGION - TETRTRIACT -------- 64 MGION - TETRTRIACT MGION - TOLUENE -------- 65 MGION - TRICONTAN MGION - TRICOSAN -------- 65 MGION - TTACONT MGION - TTCOSAN -------- 65 MXYLENE - NAION MXYLENE - NH4ION -------- 65 MXYLENE - NO3ION MXYLENE - OHION -------- 65 MXYLENE - SO4ION NAION - NEOPENTANE -------- 65 NAION - NONACOSAN NAION - OCTACOSAN -------- 65 NAION - OXYLENE NAION - PENTCOSAN -------- 65 NAION - PENTTRIACT NAION - PHENANTHR -------- 65 NAION - PHENANTHR NAION - PXYLENE -------- 66 NAION - TBUTEN NAION - TETRTRIACT -------- 66 NAION - TOLUENE NAION - TRICONTAN -------- 66 NAION - TRICOSAN NAION - TTACONT -------- 66 NAION - TTCOSAN NAPHTHALEN - NH4ION -------- 66 NAPHTHALEN - NO3ION NAPHTHALEN - SO4ION -------- 66 NEOPENTANE - NH4ION NEOPENTANE - NO3ION -------- 66 NEOPENTANE - OHION NEOPENTANE - SO4ION -------- 66 NH4ION - NONACOSAN NH4ION - OCTACOSAN -------- 66 NH4ION - OCTACOSAN NH4ION - OXYLENE -------- 67 NH4ION - PENTCOSAN NH4ION - PENTTRIACT -------- 67 NH4ION - PHENANTHR NH4ION - PXYLENE -------- 67 NH4ION - TBUTEN NH4ION - TETRTRIACT -------- 67 NH4ION - TOLUENE NH4ION - TRICONTAN -------- 67 NH4ION - TRICOSAN NH4ION - TTACONT -------- 67

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MSEPUB-Part 1 of 2.txt NH4ION - TTCOSAN NO3ION - NONACOSAN -------- 67 NO3ION - OCTACOSAN NO3ION - OXYLENE -------- 67 NO3ION - PENTCOSAN NO3ION - PENTTRIACT -------- 67 NO3ION - PENTTRIACT NO3ION - PHENANTHR -------- 68 NO3ION - PXYLENE NO3ION - TBUTEN -------- 68 NO3ION - TETRTRIACT NO3ION - TOLUENE -------- 68 NO3ION - TRICONTAN NO3ION - TRICOSAN -------- 68 NO3ION - TTACONT NO3ION - TTCOSAN -------- 68 NONACOSAN - OHION NONACOSAN - SO4ION -------- 68 OCTACOSAN - OHION OCTACOSAN - SO4ION -------- 68 OHION - OXYLENE OHION - PENTCOSAN -------- 68 OHION - PENTTRIACT OHION - PHENANTHR -------- 68 OHION - PHENANTHR OHION - PXYLENE -------- 69 OHION - TBUTEN OHION - TETRTRIACT -------- 69 OHION - TOLUENE OHION - TRICONTAN -------- 69 OHION - TRICOSAN OHION - TTACONT -------- 69 OHION - TTCOSAN OXYLENE - SO4ION -------- 69 PENTCOSAN - SO4ION PENTTRIACT - SO4ION -------- 69 PHENANTHR - SO4ION PXYLENE - SO4ION -------- 69 SO4ION - TBUTEN SO4ION - TETRTRIACT -------- 69 SO4ION - TOLUENE SO4ION - TRICONTAN -------- 69 SO4ION - TRICONTAN SO4ION - TRICOSAN -------- 70 SO4ION - TTACONT SO4ION - TTCOSAN -------- 70

Removed Species Interaction data from 1 to 2

Removed Species Interation Data -------- 71

New Species Interaction data from 1 to 2

New Species Interation Data -------- 72

� 1 2 Page 1 |ANTHRACEN --------------------------------------------------------------------- |GREF 323620 |GREF 323823.1875HREF 176712 |HREF 176126.3125SREF 240.221802 |SREF 237.57547HKF 3.66707 0 0 0 153.742996 0 |+ -23458.099609 | LDEN 0.470522 0.2609 873 0.233911 |LDEN 0.47056 0.26069 873 0.2353GREF 286238 |GREF 286392.28125HREF 130633 |HREF 131399.359375SREF 211.052307 |SREF 213.104935 |CP 59.735401 0.614464 0 0 0 |BENZENE ----------------------------------------------------------------------- |GREF 133777 |GREF 133691.359375HREF 53333.03125 |HREF 54099.121094SREF 156.204193 |SREF 159.060623HKF 0 0 0 0 86.227097 -1.365420E+05 |+ -10684.099609 | LDEN 0.805763 0.235332 575 0.275094 |LDEN 1.0162 0.2655 562.159973 0.28212 |LOLN Benzene |CP 55.162701 0.269299 0 0 0 |BUTENE1 ----------------------------------------------------------------------- |GREF 84042.382812 |GREF 83814.726562

Page 8

MSEPUB-Part 1 of 2.txtHREF -17282.140625 |HREF -18602.943359SREF 205.247406 |SREF 201.580933HKF 0 0 0 0 92.396797 -1.303300E+05 |+ 115058 | LDEN 3.732500E-02 4.774040E-02 575 |LDEN 1.0972 0.2649 419.950012 0.29043+ 0.217062 | |LOLN 1-Butene |CP 68.192299 0.20602 0 0 0 |C10H22 ------------------------------------------------------------------------ |GREF 55972.671875 |GREF 56235.46875HREF -3.037220E+05 |HREF -2.984698E+05SREF 286.849213 |SREF 303.582245HKF 0 0 0 0 230.998993 -3.379450E+05 |+ -1.952150E+05 | LDEN 0.408158 0.251624 618 0.281398 |LDEN 0.42195 0.25543 618.450012 0.2887 |LOLN n-Decane |CP 159.902802 0.522229 0 0 0 |C11H24 ------------------------------------------------------------------------ |GREF 65601.023438 |GREF 66002.601562HREF -3.374850E+05 |HREF -3.260842E+05SREF 277.585785 |SREF 314.477386HKF 0 0 0 0 228.498993 -2.258110E+05 |+ -2.228720E+05 | LDEN 0.426371 0.26815 639 0.305411 |LDEN 0.42636 0.26811 638.76001 0.30554 |LOLN n-Undecane |CP 182.1017 0.554768 0 0 0� 1 2 Page 2 |C12H26 ------------------------------------------------------------------------ |GREF 72022.078125 |GREF 71950.992188HREF -3.523560E+05 |HREF -3.519083E+05SREF 342.44281 |SREF 344.184204HKF 0 0 0 0 248.453003 -3.845770E+05 |+ -2.981590E+05 | LDEN 0.3463 0.252058 658 0.288733 |LDEN 0.346 0.25183 658.200012 0.2896 |LOLN n-Dodecane |CP 201.529007 0.586916 0 0 0 |C13H28 ------------------------------------------------------------------------ |GREF 78612.882812 |GREF 78495.609375HREF -3.785110E+05 |HREF -3.775219E+05SREF 368.885315 |SREF 372.598602HKF 0 0 0 0 258.984985 -3.001940E+05 |+ -3.279610E+05 | LDEN 8.556500E-02 0.130553 676 0.18411|LDEN 0.3228 0.2504 675.799988 0.312 |LOLN n-Tridecane |CP 223.199905 0.618703 0 0 0 |C14H30 ------------------------------------------------------------------------ |GREF 84946.617188 |GREF 84605.085938HREF -4.036690E+05 |HREF -4.028393E+05SREF 399.535614 |SREF 403.464386HKF 0 0 0 0 293.778992 -4.030410E+05 |+ -2.669730E+05 | LDEN 0.302941 0.255147 692 0.276186 |LDEN 0.30382 0.25588 692.400024 |+ 0.27348

Page 9

MSEPUB-Part 1 of 2.txt |LOLN n-Tetradecane |CP 241.665207 0.650283 0 0 0 |C15H32 ------------------------------------------------------------------------ |GREF 90341.851562 |GREF 90720.835938HREF -4.324500E+05 |HREF -4.288558E+05SREF 421.178192 |SREF 431.960358HKF 0 0 0 0 341.316986 -5.487410E+05 |+ -1.970490E+05 | LDEN 0.290537 0.255385 707 0.309887 |LDEN 0.28834 0.25375 706.799988 |+ 0.31579 |LOLN n-Pentadecane |CP 269.805298 0.681582 0 0 0 |C16H34 ------------------------------------------------------------------------ |GREF 97000.273438 |GREF 96879.265625HREF -4.682060E+05 |HREF -4.546837E+05SREF 415.189606 |SREF 460.951294HKF 0 0 0 0 358.296997 -7.169160E+05 |+ -1.660410E+05 | LDEN 0.276719 0.256798 721 0.31587 |LDEN 0.27356 0.25442 720.599976 0.3238 |LOLN n-Hexadecane |CP 288.630493 0.712675 0 0 0� 1 2 Page 3 |C17H36 ------------------------------------------------------------------------ |GREF 98689.3125 |GREF 101523.921875HREF -4.966490E+05 |HREF -4.808838E+05SREF 450.3992 |SREF 493.770569HKF 0 0 0 0 435.149994 -8.883010E+05 |+ -1.043490E+05 | LDEN 0.34855 0.295988 733 0.36619 |LDEN 0.25217 0.25316 733.369995 0.3052 |LOLN n-Heptadecane |CP 310.0896 0.743713 0 0 0 |C18H38 ------------------------------------------------------------------------ |GREF 102978 |GREF 107594.90625HREF -5.260790E+05 |HREF -5.060255E+05SREF 473.591095 |SREF 525.355591HKF 0 0 0 0 477.056 -1.110310E+06 |+ -88241 | LDEN 0.305063 0.285093 745 0.350576 |LDEN 0.2413 0.25763 745.26001 0.274 |LOLN n-Octadecane |CP 331.786896 0.774525 0 0 0 |C19H40 ------------------------------------------------------------------------ |GREF 111533 |GREF 114207.71875HREF -5.370000E+05 |HREF -5.299412E+05SREF 544.530884 |SREF 559.23761HKF 0 0 0 0 488.903015 -1.401310E+06 |+ -99970.796875 | LDEN 0.221457 0.250114 756 0.306523 |LDEN 0.22147 0.25012 755.929993 0.3065 |LOLN n-Nonadecane |CP 354.17749 0.805326 0 0 0 |C20H42 ------------------------------------------------------------------------ |GREF 117702 |GREF 119024.34375

Page 10

MSEPUB-Part 1 of 2.txtHREF -5.649280E+05 |HREF -5.575138E+05SREF 566.446716 |SREF 586.877136HKF 0 0 0 0 459.997986 -8.150100E+05 |+ -1.671210E+05 | LDEN 0.209414 0.249085 767 0.309349 |LDEN 0.20966 0.24934 767.039978 0.3088 |LOLN n-Eicosane |CP 378.194702 0.836006 0 0 0 |C2H4 -------------------------------------------------------------------------- |GREF 81712.679688 |GREF 81815.609375HREF 37503.699219 |HREF 36876.730469SREF 124.268097 |SREF 121.820091HKF 0.7856 1263.910034 -1.8737 |+ -33014 39.099998 97000 -40000 | |LOLN Ethylene |LDEN 2.0961 0.27657 282.339996 0.29147 |CP 45.566299 0.132721 0 0 0� 1 2 Page 4 |C2H5SION ---------------------------------------------------------------------- |ASID C2H5S- |GREF 58850.71875 |GREF 59389.789062HREF -54816.679688 |HREF -31403.679688SREF 54.017109 |SREF 130.737198HKF 0 0 0 0 120.067101 0 0 |HKF 0 0 0 0 -20.71681 0 0 |C2H6 -------------------------------------------------------------------------- |GREF -16385.089844 |GREF -16337.93457HREF -1.035230E+05 |HREF -1.025118E+05SREF 110.825798 |SREF 114.05751HKF 0.8634 1330.109985 0.5205 -33288 |+ 54.175499 149521 -40600 | |LOLN Ethane |LDEN 1.8363 0.27411 305.420013 0.2838 |CP 41.890499 0.174267 0 0 0 |C3H6 -------------------------------------------------------------------------- |GREF 75244.71875 |GREF 75184.390625HREF 3014.321045 |HREF 517.694702SREF 166.556702 |SREF 158.385315HKF 0 0 0 0 61.205799 -75648.5 |+ 7637.819824 | LDEN 2.120660E-02 3.146150E-02 575 |LDEN 1.4094 0.26465 365.570007 0.295+ 0.244276 | |LOLN Propylene |CP 38.1138 0.238501 0 0 0 |C3H7SH ------------------------------------------------------------------------ |GREF 6888.11084 |GREF 6911.26123HREF -99076.703125 |HREF -67038.976562SREF 216.161697 |SREF 232.097107KFIT 0 0 0 0 0 0 0 |KFIT -6.983802 1557.840942 |+ 3.231199E-03 0 0 0 0

|C3H7SION ---------------------------------------------------------------------- |GREF 69150.46875 |GREF 66939.898438

Page 11

MSEPUB-Part 1 of 2.txtHREF -81797.617188 |HREF -94302.757812SREF 85.651917 |SREF 122.202301HKF 0 0 0 0 153.167496 0 0 |HKF 0 0 0 0 0 0 0 |C3H8 -------------------------------------------------------------------------- |GREF -8376.996094 |GREF -8333.816406HREF -1.236590E+05 |HREF -1.269480E+05SREF 152.701401 |SREF 141.525467HKF 0 0 0 0 48.283501 -77467.898438 |+ -2.569340E+05 | LDEN 2.681960E-02 3.718960E-02 575 |LDEN 1.3964 0.27722 369.820007 0.2914+ 0.245488 | |LOLN Propane |CP 39.3083 0.26096 0 0 0� 1 2 Page 5 |C4H10 ------------------------------------------------------------------------- |GREF -233.843796 |GREF -273.549927HREF -1.499360E+05 |HREF -1.480676E+05SREF 173.528503 |SREF 179.928741HKF 0 0 0 0 116.736 -1.743200E+05 |+ -34588 | LDEN 1.417760E-02 3.082030E-02 575 |LDEN 1.0698 0.2724 425.179993 0.2863+ 0.17504 | |LOLN n-Butane |CP 55.877499 0.295984 0 0 0 |C5H12 ------------------------------------------------------------------------- |GREF 8694.477539 |GREF 8635.776367HREF -1.759590E+05 |HREF -1.719637E+05SREF 192.574905 |SREF 206.171616HKF 0 0 0 0 133.533005 -1.128380E+05 |+ 43595.300781 | LDEN 2.211580E-02 4.271320E-02 575 |LDEN 0.8636 0.26923 469.649994 0.28215+ 0.157893 | |LOLN n-Pentane |CP 63.878201 0.348375 0 0 0 |C6H14 ------------------------------------------------------------------------- |GREF 17879.490234 |GREF 18089.523438HREF -1.985950E+05 |HREF -1.967928E+05SREF 222.118103 |SREF 227.459808HKF 0 0 0 0 153.473007 -1.605820E+05 |+ 61136 | LDEN 8.685440E-02 9.174400E-02 575 |LDEN 0.7147 0.265 507.429993 0.2781+ 0.187508 | |LOLN n-Hexane |CP 82.594398 0.385103 0 0 0 |C7H16 ------------------------------------------------------------------------- |GREF 27207.089844 |GREF 26967.134766HREF -2.264610E+05 |HREF -2.218386E+05SREF 233.644196 |SREF 249.951736HKF 0 0 0 0 148.968002 -13739.599609 |+ -98705.101562 | LDEN 0.568637 0.250378 575 0.32218 |LDEN 0.6034 0.2602 540.26001 0.2791 |LOLN n-Heptane |CP 100.181702 0.420602 0 0 0

Page 12

MSEPUB-Part 1 of 2.txt |C8H18 ------------------------------------------------------------------------- |GREF 35986.75 |GREF 36230.929688HREF -2.502340E+05 |HREF -2.471091E+05SREF 260.733887 |SREF 270.396454HKF 0 0 0 0 176.985992 -3.228580E+05 |+ -1.791650E+05 | LDEN 0.749078 0.306083 575 0.350497 |LDEN 0.524 0.25841 568.830017 0.27374 |LOLN n-Octane |CP 117.633499 0.455431 0 0 0� 1 2 Page 6 |C9H20 ------------------------------------------------------------------------- |GREF 46603.070312 |GREF 46545.746094HREF -2.790920E+05 |HREF -2.728102E+05SREF 264.611206 |SREF 285.872223HKF 0 0 0 0 224.070999 -2.130850E+05 |+ -65708.703125 | LDEN 0.875387 0.347362 596 0.415326 |LDEN 0.478 0.25962 595.650024 0.2841 |LOLN n-Nonane |CP 139.205093 0.489193 0 0 0 |CBUTEN ------------------------------------------------------------------------ |GREF 78310.382812 |GREF 77986.828125HREF -25302.869141 |HREF -30241.658203SREF 197.570999 |SREF 182.091446HKF 0 0 0 0 100.241997 -1.193770E+05 |+ 155943 | LDEN 6.068950E-02 6.044710E-02 575 |LDEN 1.1609 0.27104 435.579987 0.2816+ 0.21891 | |LOLN cis-2-Butene |CP 67.4767 0.198627 0 0 0 |CH4 --------------------------------------------------------------------------- |GREF -34167.800781 |GREF -34278.925781HREF -89158.109375 |HREF -84787.507812SREF 82.375427 |SREF 97.406868HKF 0.67617 872.789978 2.3212 -31397 |HKF 1.65427 0 -34.7575 0 47.273701 + 42.094101 104707 -31790 |+ -60187.300781 0 |LOLN Methane |LDEN 2.911 0.29004 190.580002 0.2786 |CUMENE ------------------------------------------------------------------------ |GREF 143888 |GREF 143919.984375HREF -36480.25 |HREF -31496.189453SREF 229.876907 |SREF 246.484879HKF 0 0 0 0 222.792999 -4.995970E+05 |+ -26238.300781 | LDEN 0.582106 0.256216 631 0.273451 |LDEN 0.604 0.25912 631.099976 0.2914 |LOLN Cumene |CP 87.977501 0.414372 0 0 0 |CYCLOHEXAN -------------------------------------------------------------------- |GREF 44726 |GREF 44791.394531HREF -1.524440E+05 |HREF -1.509365E+05SREF 156.326797 |SREF 161.163071HKF 0 0 0 0 70.938103 -1.696490E+05 |

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MSEPUB-Part 1 of 2.txt+ -3.482370E+05 | LDEN 0.564105 0.216639 575 0.263272 |LDEN 0.8908 0.27396 553.580017 0.2851 |LOLN Cyclohexane |CP 53.743801 0.344839 0 0 0� 1 2 Page 7 |DOCOSAN ----------------------------------------------------------------------- |GREF 124338 |GREF 131026.984375HREF -6.423530E+05 |HREF -6.087092E+05SREF 557.0578 |SREF 647.457275HKF 0 0 0 0 560.427002 -1.029240E+06 |+ -88508.203125 | |LOLN n-Docosane |CP 423.884003 0.892803 0 0 0 |DOCTRIACON -------------------------------------------------------------------- |GREF 170412 |GREF 190690.828125HREF -9.403160E+05 |HREF -8.549753E+05SREF 765.872803 |SREF 984.085144HKF 0 0 0 0 838.692017 -1.617330E+06 |+ -41966.898438 | |LOLN n-Dotriacontane |CP 647.400574 1.201005 0 0 0 |ETBNZ ------------------------------------------------------------------------- |GREF 135442 |GREF 135352.8125HREF -9773.447266 |HREF -5658.148926SREF 211.504105 |SREF 225.607559HKF 0 0 0 0 122.623001 -1.863120E+05 |+ -45990.699219 | LDEN 0.686719 0.260003 617 0.275852 |LDEN 0.6952 0.26037 617.200012 0.2844 |LOLN Ethylbenzene |CP 77.960999 0.366014 0 0 0 |ETMCAPTAN --------------------------------------------------------------------- |ASID C2H5SH |ASID C2H6SHHREF -46300 |HREF -46304.75GREF -1479.140991 |GREF -450.960297HREF -75143.796875 |HREF -63671.691406SREF 188.187607 |SREF 223.216797 |CHEM C2H6S |HENEICOSAN -------------------------------------------------------------------- |GREF 120061 |GREF 125356.40625HREF -6.107970E+05 |HREF -5.833082E+05SREF 540.957703 |SREF 615.399475HKF 0 0 0 0 524.267029 -9.392740E+05 |+ -1.148280E+05 | |LOLN n-Heneicosane |CP 401.14801 0.864538 0 0 0� 1 2 Page 8 |HENTRIACNT -------------------------------------------------------------------- |GREF 166487 |GREF 184771.71875HREF -9.074380E+05 |HREF -8.300972E+05SREF 753.036316 |SREF 951.119446HKF 0 0 0 0 802.096008 -1.519930E+06 |

Page 14

MSEPUB-Part 1 of 2.txt+ -58093.800781 | |LOLN n-Hentriacontane |CP 632.7146 1.145346 0 0 0 |HPTCOSAN ---------------------------------------------------------------------- |GREF 149620 |GREF 162644.625HREF -7.899890E+05 |HREF -7.313799E+05SREF 658.448608 |SREF 811.336182HKF 0 0 0 0 701.513977 -1.328370E+06 |+ -56829.398438 | |LOLN n-Heptacosane |CP 539.164612 1.034106 0 0 0 |HXCOSAN ----------------------------------------------------------------------- |GREF 144391 |GREF 156061.9375HREF -7.608810E+05 |HREF -7.075102E+05SREF 637.33197 |SREF 777.194763HKF 0 0 0 0 672.65802 -1.265470E+06 |+ -65381.5 | |LOLN n-Hexacosane |CP 516.428589 1.005643 0 0 0 |HXTACONTAN -------------------------------------------------------------------- |GREF 202113 |GREF 214298.203125HREF -1.007260E+06 |HREF -9.536591E+05SREF 980.127075 |SREF 1119.023315HKF 0 0 0 0 844.161987 -1.373280E+06 |+ -1.160000E+05 | |LOLN n-Hexatriacontane |CP 738.148987 1.323412 0 0 0 |IPENTAN ----------------------------------------------------------------------- |GREF 3626.690918 |GREF 3610.791992HREF -1.814630E+05 |HREF -1.778949E+05SREF 191.110901 |SREF 203.13237HKF 0 0 0 0 125.061996 -92975.203125 |+ -3847.919922 | LDEN 2.915310E-02 4.885760E-02 575 |LDEN 0.9079 0.2761 460.429993 0.28673+ 0.174757 | |LOLN Isopentane |CP 59.442501 0.355413 0 0 0� 1 2 Page 9 |ISOBUTANE --------------------------------------------------------------------- |GREF -3518.827881 |GREF -3629.996582HREF -1.565810E+05 |HREF -1.547682E+05SREF 162.258408 |SREF 168.712692HKF 0 0 0 0 110.264 -1.434130E+05 |+ -56359.101562 | LDEN 1.653020E-02 3.326960E-02 575 |LDEN 1.0463 0.27294 408.140015 0.27301+ 0.196951 | |LOLN Isobutane |CP 56.402 0.290454 0 0 0 |ISOBUTENE --------------------------------------------------------------------- |GREF 71160.171875 |GREF 71350.585938HREF -33491.710938 |HREF -38298.242188

Page 15

MSEPUB-Part 1 of 2.txtSREF 194.087402 |SREF 177.327545HKF 0 0 0 0 108.121002 -1.836660E+05 |+ 174101 | LDEN 4.475560E-02 5.240030E-02 575 |LDEN 1.1454 0.2725 417.899994 0.28186+ 0.222152 | |LOLN Isobutylene |CP 69.545799 0.20703 0 0 0 |MXYLENE ----------------------------------------------------------------------- |GREF 123345 |GREF 123417.539062HREF -20539.169922 |HREF -18691.308594SREF 215.969299 |SREF 221.925217HKF 0 0 0 0 118.075996 -1.120170E+05 |+ 2716.73999 | LDEN 0.63918 0.251944 617 0.261313 |LDEN 0.69555 0.26204 617.049988 |+ 0.27602 |LOLN m-Xylene |CP 74.830101 0.366014 0 0 0 |NAALO2.2.5H2O ----------------------------------------------------------------- |VREF 1.060400E-04 |VREF 8.396000E-05 |NAPHTHALEN -------------------------------------------------------------------- |GREF 221799 |GREF 221680.03125HREF 106158 |HREF 106945.546875SREF 191.621796 |SREF 194.662689HKF 2.96585 0 0 0 110.777 |+ 31151.199219 -91124.796875 | LDEN 0.823186 0.294248 748 0.311138 |LDEN 0.61674 0.25473 748.349976 |+ 0.27355 GREF 201212 |GREF 201180.53125HREF 78396.4375 |HREF 78121.554688SREF 167.558701 |SREF 166.74202 |CP 64.343002 0.441881 0 0 0� 1 2 Page 10 |NEOPENTANE -------------------------------------------------------------------- |GREF 4983.353027 |GREF 4876.452148HREF -1.909370E+05 |HREF -1.874892E+05SREF 154.786194 |SREF 166.70813HKF 0 0 0 0 128.893005 -1.137360E+05 |+ -1269.73999 | LDEN 4.457220E-02 5.923540E-02 575 |LDEN 0.9041 0.27675 433.779999 0.29605+ 0.237364 | |LOLN Neopentane |CP 55.0993 0.377241 0 0 0 |NONACOSAN --------------------------------------------------------------------- |GREF 155489 |GREF 171934.375HREF -8.530880E+05 |HREF -7.817009E+05SREF 699.673584 |SREF 883.941101HKF 0 0 0 0 760.484985 -1.460820E+06 |+ -47107.101562 | |LOLN n-Nonacosane |CP 586.825623 1.089426 0 0 0 |OCTACOSAN --------------------------------------------------------------------- |

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MSEPUB-Part 1 of 2.txtGREF 152517 |GREF 167384.265625HREF -8.234490E+05 |HREF -7.576889E+05SREF 672.778809 |SREF 843.465088HKF 0 0 0 0 733.877014 -1.407950E+06 |+ -48836.601562 | |LOLN n-Octacosane |CP 557.063416 1.078792 0 0 0 |OXYLENE ----------------------------------------------------------------------- |GREF 125752 |GREF 125428.367188HREF -19122.220703 |HREF -17876.558594SREF 212.649704 |SREF 217.913605HKF 0 0 0 0 116.413002 -1.106910E+05 |+ -11105.799805 | LDEN 0.677638 0.257778 630 0.266269 |LDEN 0.69883 0.26113 630.330017 |+ 0.27429 |LOLN o-Xylene |CP 80.034599 0.366014 0 0 0 |PENTCOSAN --------------------------------------------------------------------- |GREF 139284 |GREF 149249.5625HREF -7.300580E+05 |HREF -6.834982E+05SREF 621.583374 |SREF 744.316833HKF 0 0 0 0 639.455994 -1.183900E+06 |+ -79965.601562 | |LOLN n-Pentacosane |CP 493.502411 0.977819 0 0 0� 1 2 Page 11 |PENTTRIACT -------------------------------------------------------------------- |GREF 183157 |GREF 210089.09375HREF -1.035840E+06 |HREF -9.264129E+05SREF 811.54541 |SREF 1088.241699HKF 0 0 0 0 934.843994 -1.850980E+06 |+ -18064.300781 | |LOLN n-Pentatriacontane |CP 726.44397 1.257558 0 0 0 |PHENANTHR --------------------------------------------------------------------- |GREF 300129 |GREF 299611.625HREF 154435 |HREF 153285.4375SREF 244.294601 |SREF 242.172012HKF 3.91739 0 0 0 174.800995 |+ -1.842590E+05 -38240.699219 | LDEN 0.455583 0.252637 869 0.246823 |LDEN 0.4555 0.25228 869.25 0.2486GREF 270398 |GREF 269992.6875HREF 116715 |HREF 113481.375SREF 217.496506 |SREF 208.012161 |CP 68.805603 0.614464 0 0 0 |PXYLENE ----------------------------------------------------------------------- |GREF 126139 |GREF 126303.664062HREF -19346.900391 |HREF -17422.761719SREF 210.599503 |SREF 216.499832HKF 0 0 0 0 119.345001 -1.556880E+05 |+ -62.170502 | LDEN 0.642769 0.253095 616 0.263284 |LDEN 0.6816 0.25963 616.22998 0.2768 |LOLN p-Xylene

Page 17

MSEPUB-Part 1 of 2.txt |CP 73.197502 0.366014 0 0 0 |SB2O3 ------------------------------------------------------------------------- |GREF -6.286970E+05 |GREF -6.334580E+05HREF -7.085500E+05 |HREF -7.182570E+05SREF 129.899994 |SREF 114.516098VREF 5.500000E-05 |VREF 5.221000E-05CPRE 104.599998 |CPRE 94.307404CP1 118.241997 -8.180000E-03 |CP1 94.244598 5.032500E-02 + -1.274900E+06 3.532100E-05 0 |+ -1.337625E+06 0 0 |SB2O5 ------------------------------------------------------------------------- |GREF -8.647300E+05 |GREF -8.450642E+05HREF -1.007500E+06 |HREF -9.878400E+05SREF 125.099998 |SREF 125.101601CPRE 117.610001 |CPRE 117.612EQUA .5SB2O5PPT+2.5H2O=SBOH5AQ |EQUA SB2O5PPT+5H2O=2SBOH5AQCP1 117.599998 0 0 0 0 |CP1 117.612 0 0 0 0 |VREF 4.792600E-05� 1 2 Page 12 |SBEL -------------------------------------------------------------------------- |SREF 45.080002 |SREF 45.689999 |SBOH2ION ---------------------------------------------------------------------- |GREF -4.143000E+05 |GREF -4.150341E+05HREF -5.338400E+05 |HREF -4.780780E+05SREF -20.280001 |SREF 104.559998VREF 1.951200E-05 |VREF 3.593800E-05CPRE -76.230003 |CPRE -26.233999HKF 5.90705 -28465 -386.209991 |HKF 0.364331 1747.182007 18.63394 + 2.228600E+06 18.3834 -4.067540E+0|+ -79819.453125 108.688499 -5.536443E+ |EXTE 623.150024 |SBOH3 ------------------------------------------------------------------------- |GREF -6.447600E+05 |GREF -6.443780E+05HREF -7.736000E+05 |HREF -7.541270E+05SREF 116.339996 |SREF 180.999802VREF 3.253500E-05 |VREF 5.400000E-05CPRE -130.899994 |CPRE 277.817596HKF -5.9427 31284.800781 485.178986 |HKF 0.91718 1461.300049 6.400000E-03 + -2.382820E+06 -58.209999 1.815780|+ -33831 45.501701 104911 4610 EQUA SBOH3AQ=SBOH2ION+OHION |EQUA SBOH3AQ+H3OION=SBOH2ION+2H2O |EXTE 623.150024 |SBOH4ION ---------------------------------------------------------------------- |GREF -8.145800E+05 |GREF -8.140930E+05HREF -9.880500E+05 |HREF -1.020054E+06SREF 134.5 |SREF 91.390938VREF 4.750100E-05 |VREF 5.949800E-05CPRE 17.396 |CPRE 496.394806HKF 10.2979 -39112 -820.869995 |HKF 0.86736 1339.699951 0.4833 + 3.712980E+06 6.06741 115764 63054|+ -33328 78.702629 237096.5 89460 EQUA SBOH4ION=SBOH3AQ+OHION |EQUA SBOH4ION+H3OION=SBOH3AQ+2H2O |EXTE 623.150024 |

Page 18

MSEPUB-Part 1 of 2.txtSBOH5 ------------------------------------------------------------------------- |GREF -1.005900E+06 |GREF -9.975715E+05HREF -1.218300E+06 |HREF -1.183707E+06 |SREF 260.405701 |VREF 7.102000E-05 |CPRE 226.957901 |HKF 1.345921 1461.300049 |+ 6.400000E-03 -33831 33.349998 104911 4610 |EXTE 623.150024� 1 2 Page 13 |TBUTEN ------------------------------------------------------------------------ |GREF 76318.632812 |GREF 75977.671875HREF -28288.230469 |HREF -33384.011719SREF 194.238403 |SREF 178.290695HKF 0 0 0 0 100.328003 -1.149710E+05 |+ 154473 | LDEN 4.363860E-02 5.157630E-02 575 |LDEN 1.1426 0.27095 428.630005 0.2854+ 0.215682 | |LOLN trans-2-Butene |CP 69.781898 0.201848 0 0 0 |TETRTRIACT -------------------------------------------------------------------- |GREF 183180 |GREF 203347.421875HREF -9.843110E+05 |HREF -9.029281E+05SREF 848.038208 |SREF 1053.351318HKF 0 0 0 0 848.359985 -1.536710E+06 |+ -96865.601562 | |LOLN n-Tetratriacontane |CP 703.298096 1.230077 0 0 0 |TOLUENE ----------------------------------------------------------------------- |GREF 126483 |GREF 126563.070312HREF 15296.620117 |HREF 18346.964844SREF 189.366592 |SREF 199.329102HKF 0 0 0 0 105.449997 -1.742890E+05 |+ -37424.398438 | LDEN 0.788523 0.258448 592 0.269847 |LDEN 0.8488 0.26655 591.799988 0.2878 |LOLN Toluene |CP 63.008301 0.317656 0 0 0 |TRICONTAN --------------------------------------------------------------------- |GREF 163363 |GREF 180406.125HREF -8.788070E+05 |HREF -8.058761E+05SREF 723.271301 |SREF 910.727112HKF 0 0 0 0 776.721985 -1.471480E+06 |+ -60810.800781 | |LOLN n-Tricontane |CP 609.702087 1.117614 0 0 0 |TRICOSAN ---------------------------------------------------------------------- |GREF 128703 |GREF 136754.453125HREF -6.733690E+05 |HREF -6.339806E+05SREF 574.65979 |SREF 679.757751HKF 0 0 0 0 593.559021 -1.110890E+06 |+ -70841.601562 |

Page 19

MSEPUB-Part 1 of 2.txt |LOLN n-Tricosane |CP 446.508392 0.921443 0 0 0� 1 2 Page 14 |TTACONT ----------------------------------------------------------------------- |GREF 175384 |GREF 197181.875HREF -9.684790E+05 |HREF -8.787990E+05SREF 791.014526 |SREF 1018.69104HKF 0 0 0 0 858.320984 -1.640690E+06 |+ -50903.300781 | |LOLN n-Tritriacontane |CP 680.672485 1.20085 0 0 0 |TTCOSAN ----------------------------------------------------------------------- |GREF 134242 |GREF 142477.75HREF -6.985820E+05 |HREF -6.592603E+05SREF 607.788818 |SREF 712.041504HKF 0 0 0 0 602.289978 -1.088710E+06 |+ -1.044660E+05 | |LOLN n-Tetracosane |CP 467.086792 0.956945 0 0 0� ------- New Species -------- Page 15

BUTYLMCPT C10H22S2 C12H26S2 C14H30S2 C4H10S2 C4H9SION C6H14S2 C8H18S2 CH3SION CUINH32ION H2SUCCNATE HSUCCNATION MEMERCAPTN NA2SUC.6H2O NA2SUCCNAT NAHSUC.3H2O NAHSUCCNAT NASUCCNATION SB2O3V SB2O4 SB2O5.3.5H2O SB2O5C SBOH6ION SBVOH4ION SUCCNATEION

� 1 2 % Dif Page 16-------------------------------------------------------------------------------ANTHRACEN CAION MIDRANG 3 -5568.01 -6631.75 8.71935 -------------------------------------------------------------------------------ANTHRACEN CLION MIDRANG 3 -5568.01 -6631.75 8.71935 -------------------------------------------------------------------------------ANTHRACEN CO3ION MIDRANG 3 -11136.0 -13263.5 8.71935 -------------------------------------------------------------------------------ANTHRACEN H2O UNIQ 1 19932.6 39089.1 32.4567 2 546.862 -10519.9 110.967 3 -48.0797 -189.465 59.5195 4 14.1731 85.7956 71.6449 5 0.226259E-01 0.238128 82.6458 6 -0.348701E-01 -0.133016 58.4598 -------------------------------------------------------------------------------ANTHRACEN KION MIDRANG 3 -5568.01 -6631.75 8.71935 -------------------------------------------------------------------------------ANTHRACEN LIION MIDRANG 3 -5568.01 -6631.75 8.71935 -------------------------------------------------------------------------------ANTHRACEN MGION MIDRANG 3 -5568.01 -6631.75 8.71935 -------------------------------------------------------------------------------ANTHRACEN NAION MIDRANG

Page 20

MSEPUB-Part 1 of 2.txt 3 -5568.01 -6631.75 8.71935 -------------------------------------------------------------------------------ANTHRACEN NH4ION MIDRANG 3 -2784.01 -3315.88 8.71934 -------------------------------------------------------------------------------ANTHRACEN NO3ION MIDRANG 3 -2784.01 -3315.88 8.71934 -------------------------------------------------------------------------------ANTHRACEN OHION MIDRANG 3 -5568.01 -6631.75 8.71935 -------------------------------------------------------------------------------ANTHRACEN SO4ION MIDRANG 3 -11136.0 -13263.5 8.71935 -------------------------------------------------------------------------------BENZENE CAION MIDRANG 3 -2636.36 -2663.59 0.513778 -------------------------------------------------------------------------------BENZENE CLION MIDRANG 3 -3116.56 -3123.08 0.104494 -------------------------------------------------------------------------------BENZENE CO3ION MIDRANG 3 -6233.12 -6246.16 0.104494 � 1 2 % Dif Page 17-------------------------------------------------------------------------------BENZENE H2O UNIQ 1 19932.6 22644.8 6.37005 2 -1874.56 -255.004 76.0511 3 -49.3889 -62.2939 11.5550 4 26.8269 16.4725 23.9135 5 0.226259E-01 0.355724E-01 22.2455 6 -0.348701E-01 -0.184459E-01 30.8054 -------------------------------------------------------------------------------BENZENE H3OION MIDRANG 3 -488.250 -567.810 7.53366 -------------------------------------------------------------------------------BENZENE KION MIDRANG 3 -2314.12 -2353.46 0.842832 -------------------------------------------------------------------------------BENZENE LIION MIDRANG 3 -2376.18 -2445.57 1.43911 -------------------------------------------------------------------------------BENZENE MGION MIDRANG 3 -3370.26 -3431.41 0.899042 -------------------------------------------------------------------------------BENZENE NAION MIDRANG 3 -3116.56 -3123.08 0.104494 -------------------------------------------------------------------------------BENZENE NH4ION MIDRANG 3 -1528.68 -1561.53 1.06303 -------------------------------------------------------------------------------BENZENE NO3ION MIDRANG 3 -1774.05 -1841.86 1.87532 -------------------------------------------------------------------------------BENZENE OHION MIDRANG 3 -4539.89 -4573.43 0.368033 -------------------------------------------------------------------------------BRION CH4 MIDRANG 1 39.1688 0.00000 100.000 3 -1280.37 -2794.28 37.1544 4 -67.9028 0.00000 100.000 6 -1280.37 0.00000 100.000 -------------------------------------------------------------------------------BUTENE1 CAION MIDRANG

Page 21

MSEPUB-Part 1 of 2.txt 3 -4917.14 -5278.45 3.54379 -------------------------------------------------------------------------------BUTENE1 CLION MIDRANG 3 -4917.14 -5278.45 3.54379 -------------------------------------------------------------------------------BUTENE1 CO3ION MIDRANG 3 -9834.28 -10556.9 3.54379 -------------------------------------------------------------------------------BUTENE1 H2O UNIQ 1 29159.9 20237.2 18.0632 2 -3277.06 -3509.65 3.42714 3 -91.0374 -40.4889 38.4322 4 41.8068 41.0879 0.867248 5 0.817202E-01 0.113726E-01 75.5672 6 -0.518287E-01 -0.482087E-01 3.61865 � 1 2 % Dif Page 18-------------------------------------------------------------------------------BUTENE1 H3OION MIDRANG 1 -7.91900 0.00000 100.000 3 0.00000 -5278.45 100.000 -------------------------------------------------------------------------------BUTENE1 HSO4ION MIDRANG 1 -5.60790 0.00000 100.000 3 0.00000 -5278.45 100.000 -------------------------------------------------------------------------------BUTENE1 KION MIDRANG 3 -4917.14 -5278.45 3.54379 -------------------------------------------------------------------------------BUTENE1 LIION MIDRANG 3 -4917.14 -5278.45 3.54379 -------------------------------------------------------------------------------BUTENE1 MGION MIDRANG 3 -4917.14 -5278.45 3.54379 -------------------------------------------------------------------------------BUTENE1 NAION MIDRANG 3 -4917.14 -5278.45 3.54379 -------------------------------------------------------------------------------BUTENE1 NH4ION MIDRANG 3 -2458.57 -2639.23 3.54388 -------------------------------------------------------------------------------BUTENE1 NO3ION MIDRANG 3 -2458.57 -2639.23 3.54388 -------------------------------------------------------------------------------BUTENE1 OHION MIDRANG 3 -4917.14 -5278.45 3.54379 -------------------------------------------------------------------------------BUTENE1 SO4ION MIDRANG 3 -4917.14 -5278.45 3.54379 -------------------------------------------------------------------------------C10H22 CAION MIDRANG 3 -6588.50 -7026.81 3.21924 -------------------------------------------------------------------------------C10H22 CLION MIDRANG 3 -6588.50 -7026.81 3.21924 -------------------------------------------------------------------------------C10H22 CO3ION MIDRANG 3 -13177.0 -14053.6 3.21917 -------------------------------------------------------------------------------C10H22 H2O UNIQ 1 26273.9 25502.6 1.48967 2 -9236.88 -8347.95 5.05509 3 -58.9554 -53.8132 4.55995 4 78.0517 72.7476 3.51732

Page 22

MSEPUB-Part 1 of 2.txt 5 0.289790E-01 0.206040E-01 16.8909 6 -0.103216 -0.955169E-01 3.87410 -------------------------------------------------------------------------------C10H22 H3OION MIDRANG 1 -11.5739 0.00000 100.000 3 0.00000 -7026.81 100.000 � 1 2 % Dif Page 19-------------------------------------------------------------------------------C10H22 HSO4ION MIDRANG 1 -8.19620 0.00000 100.000 3 0.00000 -7026.81 100.000 -------------------------------------------------------------------------------C10H22 KION MIDRANG 3 -6588.50 -7026.81 3.21924 -------------------------------------------------------------------------------C10H22 LIION MIDRANG 3 -6588.50 -7026.81 3.21924 -------------------------------------------------------------------------------C10H22 MGION MIDRANG 3 -6588.50 -7026.81 3.21924 -------------------------------------------------------------------------------C10H22 NAION MIDRANG 3 -6588.50 -7026.81 3.21924 -------------------------------------------------------------------------------C10H22 NH4ION MIDRANG 3 -3294.25 -3513.41 3.21931 -------------------------------------------------------------------------------C10H22 NO3ION MIDRANG 3 -3294.25 -3513.41 3.21931 -------------------------------------------------------------------------------C10H22 OHION MIDRANG 3 -6588.50 -7026.81 3.21924 -------------------------------------------------------------------------------C10H22 SO4ION MIDRANG 3 -6588.50 -7026.81 3.21924 -------------------------------------------------------------------------------C11H24 CAION MIDRANG 3 -6867.06 -7318.20 3.18034 -------------------------------------------------------------------------------C11H24 CLION MIDRANG 3 -6867.06 -7318.20 3.18034 -------------------------------------------------------------------------------C11H24 CO3ION MIDRANG 3 -13734.1 -14636.4 3.18034 -------------------------------------------------------------------------------C11H24 H2O UNIQ 1 24208.6 26555.7 4.62352 2 -10223.1 -9783.45 2.19753 3 -51.8728 -60.6389 7.79128 4 81.7433 82.0380 0.179935 5 0.289790E-01 0.322827E-01 5.39276 6 -0.103216 -0.109201 2.81757 -------------------------------------------------------------------------------C11H24 H3OION MIDRANG 1 -12.1830 0.00000 100.000 3 0.00000 -7318.20 100.000 -------------------------------------------------------------------------------C11H24 HSO4ION MIDRANG 1 -8.62760 0.00000 100.000 3 0.00000 -7318.20 100.000 � 1 2 % Dif Page 20-------------------------------------------------------------------------------C11H24 KION MIDRANG

Page 23

MSEPUB-Part 1 of 2.txt 3 -6867.06 -7318.20 3.18034 -------------------------------------------------------------------------------C11H24 LIION MIDRANG 3 -6867.06 -7318.20 3.18034 -------------------------------------------------------------------------------C11H24 MGION MIDRANG 3 -6867.06 -7318.20 3.18034 -------------------------------------------------------------------------------C11H24 NAION MIDRANG 3 -6867.06 -7318.20 3.18034 -------------------------------------------------------------------------------C11H24 NH4ION MIDRANG 3 -3433.53 -3659.10 3.18034 -------------------------------------------------------------------------------C11H24 NO3ION MIDRANG 3 -3433.53 -3659.10 3.18034 -------------------------------------------------------------------------------C11H24 OHION MIDRANG 3 -6867.06 -7318.20 3.18034 -------------------------------------------------------------------------------C11H24 SO4ION MIDRANG 3 -6867.06 -7318.20 3.18034 -------------------------------------------------------------------------------C12H26 CAION MIDRANG 3 -7277.88 -7583.23 2.05469 -------------------------------------------------------------------------------C12H26 CLION MIDRANG 3 -7277.88 -7583.23 2.05469 -------------------------------------------------------------------------------C12H26 CO3ION MIDRANG 3 -14555.8 -15166.5 2.05482 -------------------------------------------------------------------------------C12H26 H2O UNIQ 1 26273.9 32298.2 10.2853 2 -9236.88 -8639.59 3.34121 3 -57.6260 -87.9731 20.8429 4 76.6279 72.0025 3.11201 5 0.289790E-01 0.612987E-01 35.8003 6 -0.103216 -0.945965E-01 4.35741 -------------------------------------------------------------------------------C12H26 H3OION MIDRANG 1 -12.7922 0.00000 100.000 3 0.00000 -7583.23 100.000 -------------------------------------------------------------------------------C12H26 HSO4ION MIDRANG 1 -9.05900 0.00000 100.000 3 0.00000 -7583.23 100.000 -------------------------------------------------------------------------------C12H26 KION MIDRANG 3 -7277.88 -7583.23 2.05469 � 1 2 % Dif Page 21-------------------------------------------------------------------------------C12H26 LIION MIDRANG 3 -7277.88 -7583.23 2.05469 -------------------------------------------------------------------------------C12H26 MGION MIDRANG 3 -7277.88 -7583.23 2.05469 -------------------------------------------------------------------------------C12H26 NAION MIDRANG 3 -7277.88 -7583.23 2.05469 -------------------------------------------------------------------------------C12H26 NH4ION MIDRANG 3 -3638.94 -3791.62 2.05476

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MSEPUB-Part 1 of 2.txt-------------------------------------------------------------------------------C12H26 NO3ION MIDRANG 3 -3638.94 -3791.62 2.05476 -------------------------------------------------------------------------------C12H26 OHION MIDRANG 3 -7277.88 -7583.23 2.05469 -------------------------------------------------------------------------------C12H26 SO4ION MIDRANG 3 -7277.88 -7583.23 2.05469 -------------------------------------------------------------------------------C13H28 CAION MIDRANG 3 -7424.18 -7900.99 3.11129 -------------------------------------------------------------------------------C13H28 CLION MIDRANG 3 -7424.18 -7900.99 3.11129 -------------------------------------------------------------------------------C13H28 CO3ION MIDRANG 3 -14848.4 -15802.0 3.11135 -------------------------------------------------------------------------------C13H28 H2O UNIQ 1 26273.9 32007.7 9.83809 2 -9236.88 -8376.77 4.88320 3 -57.4408 -86.7512 20.3273 4 75.2219 68.6751 4.54964 5 0.289790E-01 0.622583E-01 36.4755 6 -0.103216 -0.911959E-01 6.18280 -------------------------------------------------------------------------------C13H28 H3OION MIDRANG 1 -13.4013 0.00000 100.000 3 0.00000 -7900.99 100.000 -------------------------------------------------------------------------------C13H28 HSO4ION MIDRANG 1 -9.49040 0.00000 100.000 3 0.00000 -7900.99 100.000 -------------------------------------------------------------------------------C13H28 KION MIDRANG 3 -7424.18 -7900.99 3.11129 -------------------------------------------------------------------------------C13H28 LIION MIDRANG 3 -7424.18 -7900.99 3.11129 � 1 2 % Dif Page 22-------------------------------------------------------------------------------C13H28 MGION MIDRANG 3 -7424.18 -7900.99 3.11129 -------------------------------------------------------------------------------C13H28 NAION MIDRANG 3 -7424.18 -7900.99 3.11129 -------------------------------------------------------------------------------C13H28 NH4ION MIDRANG 3 -3712.09 -3950.49 3.11122 -------------------------------------------------------------------------------C13H28 NO3ION MIDRANG 3 -3712.09 -3950.49 3.11122 -------------------------------------------------------------------------------C13H28 OHION MIDRANG 3 -7424.18 -7900.99 3.11129 -------------------------------------------------------------------------------C13H28 SO4ION MIDRANG 3 -7424.18 -7900.99 3.11129 -------------------------------------------------------------------------------C14H30 CAION MIDRANG 3 -7545.52 -8556.35 6.27772 -------------------------------------------------------------------------------

Page 25

MSEPUB-Part 1 of 2.txtC14H30 CLION MIDRANG 3 -7545.52 -8556.35 6.27772 -------------------------------------------------------------------------------C14H30 CO3ION MIDRANG 3 -15091.0 -17112.7 6.27772 -------------------------------------------------------------------------------C14H30 H2O UNIQ 1 26273.9 31802.4 9.51937 2 -9236.88 -8109.41 6.49977 3 -56.8822 -85.9129 20.3303 4 74.0316 65.5285 6.09279 5 0.289790E-01 0.635338E-01 37.3514 6 -0.103216 -0.879091E-01 8.00884 -------------------------------------------------------------------------------C14H30 H3OION MIDRANG 1 -14.0105 0.00000 100.000 3 0.00000 -8556.35 100.000 -------------------------------------------------------------------------------C14H30 HSO4ION MIDRANG 1 -9.92170 0.00000 100.000 3 0.00000 -8556.35 100.000 -------------------------------------------------------------------------------C14H30 KION MIDRANG 3 -7545.52 -8556.35 6.27772 -------------------------------------------------------------------------------C14H30 LIION MIDRANG 3 -7545.52 -8556.35 6.27772 -------------------------------------------------------------------------------C14H30 MGION MIDRANG 3 -7545.52 -8556.35 6.27772 � 1 2 % Dif Page 23-------------------------------------------------------------------------------C14H30 NAION MIDRANG 3 -7545.52 -8556.35 6.27772 -------------------------------------------------------------------------------C14H30 NH4ION MIDRANG 3 -3772.76 -4278.18 6.27778 -------------------------------------------------------------------------------C14H30 NO3ION MIDRANG 3 -3772.76 -4278.18 6.27778 -------------------------------------------------------------------------------C14H30 OHION MIDRANG 3 -7545.52 -8556.35 6.27772 -------------------------------------------------------------------------------C14H30 SO4ION MIDRANG 3 -7545.52 -8556.35 6.27772 -------------------------------------------------------------------------------C15H32 CAION MIDRANG 3 -7981.30 -8483.78 3.05179 -------------------------------------------------------------------------------C15H32 CLION MIDRANG 3 -7981.30 -8483.78 3.05179 -------------------------------------------------------------------------------C15H32 CO3ION MIDRANG 3 -15962.6 -16967.6 3.05191 -------------------------------------------------------------------------------C15H32 H2O UNIQ 1 26273.9 31678.7 9.32624 2 -9236.88 -7851.91 8.10455 3 -56.4941 -85.4557 20.4027 4 72.8025 62.6068 7.52954 5 0.289790E-01 0.651522E-01 38.4285 6 -0.103216 -0.848094E-01 9.78942

Page 26

MSEPUB-Part 1 of 2.txt-------------------------------------------------------------------------------C15H32 H3OION MIDRANG 1 -14.6196 0.00000 100.000 3 0.00000 -8483.78 100.000 -------------------------------------------------------------------------------C15H32 HSO4ION MIDRANG 1 -10.3531 0.00000 100.000 3 0.00000 -8483.78 100.000 -------------------------------------------------------------------------------C15H32 KION MIDRANG 3 -7981.30 -8483.78 3.05179 -------------------------------------------------------------------------------C15H32 LIION MIDRANG 3 -7981.30 -8483.78 3.05179 -------------------------------------------------------------------------------C15H32 MGION MIDRANG 3 -7981.30 -8483.78 3.05179 -------------------------------------------------------------------------------C15H32 NAION MIDRANG 3 -7981.30 -8483.78 3.05179 � 1 2 % Dif Page 24-------------------------------------------------------------------------------C15H32 NH4ION MIDRANG 3 -3990.65 -4241.89 3.05179 -------------------------------------------------------------------------------C15H32 NO3ION MIDRANG 3 -3990.65 -4241.89 3.05179 -------------------------------------------------------------------------------C15H32 OHION MIDRANG 3 -7981.30 -8483.78 3.05179 -------------------------------------------------------------------------------C15H32 SO4ION MIDRANG 3 -7981.30 -8483.78 3.05179 -------------------------------------------------------------------------------C16H34 CAION MIDRANG 3 -8259.86 -8775.17 3.02500 -------------------------------------------------------------------------------C16H34 CLION MIDRANG 3 -8259.86 -8775.17 3.02500 -------------------------------------------------------------------------------C16H34 CO3ION MIDRANG 3 -16519.7 -17550.3 3.02489 -------------------------------------------------------------------------------C16H34 H2O UNIQ 1 24207.9 31606.6 13.2559 2 -11041.1 -7596.22 18.4838 3 -51.4021 -85.2299 24.7583 4 77.8431 59.8464 13.0705 5 0.289790E-01 0.669416E-01 39.5771 6 -0.103216 -0.818361E-01 11.5535 -------------------------------------------------------------------------------C16H34 H3OION MIDRANG 1 -15.2288 0.00000 100.000 3 0.00000 -8775.17 100.000 -------------------------------------------------------------------------------C16H34 HSO4ION MIDRANG 1 -10.7845 0.00000 100.000 3 0.00000 -8775.17 100.000 -------------------------------------------------------------------------------C16H34 KION MIDRANG 3 -8259.86 -8775.17 3.02500 -------------------------------------------------------------------------------C16H34 LIION MIDRANG

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MSEPUB-Part 1 of 2.txt 3 -8259.86 -8775.17 3.02500 -------------------------------------------------------------------------------C16H34 MGION MIDRANG 3 -8259.86 -8775.17 3.02500 -------------------------------------------------------------------------------C16H34 NAION MIDRANG 3 -8259.86 -8775.17 3.02500 -------------------------------------------------------------------------------C16H34 NH4ION MIDRANG 3 -4129.93 -4387.58 3.02494 � 1 2 % Dif Page 25-------------------------------------------------------------------------------C16H34 NO3ION MIDRANG 3 -4129.93 -4387.58 3.02494 -------------------------------------------------------------------------------C16H34 OHION MIDRANG 3 -8259.86 -8775.17 3.02500 -------------------------------------------------------------------------------C16H34 SO4ION MIDRANG 3 -8259.86 -8775.17 3.02500 -------------------------------------------------------------------------------C17H36 CAION MIDRANG 3 -8538.42 -9066.56 2.99994 -------------------------------------------------------------------------------C17H36 CLION MIDRANG 3 -8538.42 -9066.56 2.99994 -------------------------------------------------------------------------------C17H36 CO3ION MIDRANG 3 -17076.8 -18133.1 2.99989 -------------------------------------------------------------------------------C17H36 H2O UNIQ 1 26273.9 31570.1 9.15600 2 -9236.88 -7352.05 11.3620 3 -55.5171 -85.1521 21.0672 4 70.8584 57.2706 10.6048 5 0.289790E-01 0.687998E-01 40.7254 6 -0.103216 -0.790186E-01 13.2782 -------------------------------------------------------------------------------C17H36 H3OION MIDRANG 1 -15.8379 0.00000 100.000 3 0.00000 -9066.56 100.000 -------------------------------------------------------------------------------C17H36 HSO4ION MIDRANG 1 -11.2159 0.00000 100.000 3 0.00000 -9066.56 100.000 -------------------------------------------------------------------------------C17H36 KION MIDRANG 3 -8538.42 -9066.56 2.99994 -------------------------------------------------------------------------------C17H36 LIION MIDRANG 3 -8538.42 -9066.56 2.99994 -------------------------------------------------------------------------------C17H36 MGION MIDRANG 3 -8538.42 -9066.56 2.99994 -------------------------------------------------------------------------------C17H36 NAION MIDRANG 3 -8538.42 -9066.56 2.99994 -------------------------------------------------------------------------------C17H36 NH4ION MIDRANG 3 -4269.21 -4533.28 2.99994 -------------------------------------------------------------------------------C17H36 NO3ION MIDRANG 3 -4269.21 -4533.28 2.99994

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MSEPUB-Part 1 of 2.txt� 1 2 % Dif Page 26-------------------------------------------------------------------------------C17H36 OHION MIDRANG 3 -8538.42 -9066.56 2.99994 -------------------------------------------------------------------------------C17H36 SO4ION MIDRANG 3 -8538.42 -9066.56 2.99994 -------------------------------------------------------------------------------C18H38 CAION MIDRANG 3 -8816.98 -9357.95 2.97646 -------------------------------------------------------------------------------C18H38 CLION MIDRANG 3 -8816.98 -9357.95 2.97646 -------------------------------------------------------------------------------C18H38 CO3ION MIDRANG 3 -17634.0 -18715.9 2.97646 -------------------------------------------------------------------------------C18H38 H2O UNIQ 1 26273.9 31594.8 9.19478 2 -9236.88 -7113.26 12.9884 3 -55.2904 -85.3681 21.3835 4 69.8713 54.8354 12.0570 5 0.289790E-01 0.709275E-01 41.9878 6 -0.103216 -0.763213E-01 14.9800 -------------------------------------------------------------------------------C18H38 H3OION MIDRANG 1 -16.4471 0.00000 100.000 3 0.00000 -9357.95 100.000 -------------------------------------------------------------------------------C18H38 HSO4ION MIDRANG 1 -11.6473 0.00000 100.000 3 0.00000 -9357.95 100.000 -------------------------------------------------------------------------------C18H38 KION MIDRANG 3 -8816.98 -9357.95 2.97646 -------------------------------------------------------------------------------C18H38 LIION MIDRANG 3 -8816.98 -9357.95 2.97646 -------------------------------------------------------------------------------C18H38 MGION MIDRANG 3 -8816.98 -9357.95 2.97646 -------------------------------------------------------------------------------C18H38 NAION MIDRANG 3 -8816.98 -9357.95 2.97646 -------------------------------------------------------------------------------C18H38 NH4ION MIDRANG 3 -4408.49 -4678.98 2.97651 -------------------------------------------------------------------------------C18H38 NO3ION MIDRANG 3 -4408.49 -4678.98 2.97651 -------------------------------------------------------------------------------C18H38 OHION MIDRANG 3 -8816.98 -9357.95 2.97646 � 1 2 % Dif Page 27-------------------------------------------------------------------------------C18H38 SO4ION MIDRANG 3 -8816.98 -9357.95 2.97646 -------------------------------------------------------------------------------C19H40 CAION MIDRANG 3 -9095.54 -9649.35 2.95446 -------------------------------------------------------------------------------C19H40 CLION MIDRANG 3 -9095.54 -9649.35 2.95446

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MSEPUB-Part 1 of 2.txt-------------------------------------------------------------------------------C19H40 CO3ION MIDRANG 3 -18191.1 -19298.7 2.95446 -------------------------------------------------------------------------------C19H40 H2O UNIQ 1 26273.9 31672.0 9.31576 2 -9236.88 -6890.27 14.5507 3 -54.5426 -85.8425 22.2957 4 69.2673 52.5831 13.6924 5 0.289790E-01 0.732967E-01 43.3316 6 -0.103216 -0.738059E-01 16.6138 -------------------------------------------------------------------------------C19H40 H3OION MIDRANG 1 -17.0563 0.00000 100.000 3 0.00000 -9649.35 100.000 -------------------------------------------------------------------------------C19H40 HSO4ION MIDRANG 1 -12.0786 0.00000 100.000 3 0.00000 -9649.35 100.000 -------------------------------------------------------------------------------C19H40 KION MIDRANG 3 -9095.54 -9649.35 2.95446 -------------------------------------------------------------------------------C19H40 LIION MIDRANG 3 -9095.54 -9649.35 2.95446 -------------------------------------------------------------------------------C19H40 MGION MIDRANG 3 -9095.54 -9649.35 2.95446 -------------------------------------------------------------------------------C19H40 NAION MIDRANG 3 -9095.54 -9649.35 2.95446 -------------------------------------------------------------------------------C19H40 NH4ION MIDRANG 3 -4547.77 -4824.67 2.95441 -------------------------------------------------------------------------------C19H40 NO3ION MIDRANG 3 -4547.77 -4824.67 2.95441 -------------------------------------------------------------------------------C19H40 OHION MIDRANG 3 -9095.54 -9649.35 2.95446 -------------------------------------------------------------------------------C19H40 SO4ION MIDRANG 3 -9095.54 -9649.35 2.95446 � 1 2 % Dif Page 28-------------------------------------------------------------------------------C20H42 CAION MIDRANG 3 -9240.80 -9730.47 2.58111 -------------------------------------------------------------------------------C20H42 CLION MIDRANG 3 -9240.80 -9730.47 2.58111 -------------------------------------------------------------------------------C20H42 CO3ION MIDRANG 3 -18481.6 -19460.9 2.58101 -------------------------------------------------------------------------------C20H42 H2O UNIQ 1 26273.9 31763.8 9.45920 2 -9236.88 -6667.08 16.1582 3 -54.0596 -86.3673 23.0068 4 68.5859 50.4122 15.2723 5 0.289790E-01 0.756374E-01 44.5995 6 -0.103216 -0.713482E-01 18.2556 -------------------------------------------------------------------------------C20H42 H3OION MIDRANG

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MSEPUB-Part 1 of 2.txt 1 -17.6654 0.00000 100.000 3 0.00000 -9730.47 100.000 -------------------------------------------------------------------------------C20H42 HSO4ION MIDRANG 1 -12.5100 0.00000 100.000 3 0.00000 -9730.47 100.000 -------------------------------------------------------------------------------C20H42 KION MIDRANG 3 -9240.80 -9730.47 2.58111 -------------------------------------------------------------------------------C20H42 LIION MIDRANG 3 -9240.80 -9730.47 2.58111 -------------------------------------------------------------------------------C20H42 MGION MIDRANG 3 -9240.80 -9730.47 2.58111 -------------------------------------------------------------------------------C20H42 NAION MIDRANG 3 -9240.80 -9730.47 2.58111 -------------------------------------------------------------------------------C20H42 NH4ION MIDRANG 3 -4620.40 -4865.24 2.58117 -------------------------------------------------------------------------------C20H42 NO3ION MIDRANG 3 -4620.40 -4865.24 2.58117 -------------------------------------------------------------------------------C20H42 OHION MIDRANG 3 -9240.80 -9730.47 2.58111 -------------------------------------------------------------------------------C20H42 SO4ION MIDRANG 3 -9240.80 -9730.47 2.58111 -------------------------------------------------------------------------------C2H4 CAION MIDRANG 1 12.8856 0.00000 100.000 3 -1280.37 -3445.71 45.8168 4 -20.2639 0.00000 100.000 6 -1280.37 0.00000 100.000 � 1 2 % Dif Page 29-------------------------------------------------------------------------------C2H4 CLION MIDRANG 1 11.2149 0.00000 100.000 3 -1280.37 -3445.71 45.8168 4 -20.2639 0.00000 100.000 6 -1280.37 0.00000 100.000 -------------------------------------------------------------------------------C2H4 CO3ION MIDRANG 1 11.2149 0.00000 100.000 3 -1280.37 -6891.42 68.6637 4 -20.2639 0.00000 100.000 6 -1280.37 0.00000 100.000 -------------------------------------------------------------------------------C2H4 H2O SRK 1 0.400000 0.462289 7.22368 -------------------------------------------------------------------------------C2H4 H2O UNIQ 1 20177.0 33560.7 24.9056 2 -17287.1 -20747.1 9.09708 3 -39.1208 -110.737 47.7894 4 123.009 142.819 7.45219 5 0.00000 0.923949E-01 100.000 6 -0.135699 -0.159925 8.19487 -------------------------------------------------------------------------------C2H4 H3OION MIDRANG 1 -27.9169 0.00000 100.000

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MSEPUB-Part 1 of 2.txt 3 0.00000 -1669.60 100.000 4 29.6734 0.00000 100.000 -------------------------------------------------------------------------------C2H4 HSO4ION MIDRANG 1 -20.1587 0.00000 100.000 3 0.00000 -4981.71 100.000 -------------------------------------------------------------------------------C2H4 KION MIDRANG 1 13.0777 0.00000 100.000 3 -1280.37 -4281.08 53.9555 4 -20.2639 0.00000 100.000 6 -1280.37 0.00000 100.000 -------------------------------------------------------------------------------C2H4 LIION MIDRANG 1 14.9294 0.00000 100.000 3 -1280.37 -3708.00 48.6658 4 -20.2639 0.00000 100.000 6 -1280.37 0.00000 100.000 -------------------------------------------------------------------------------C2H4 MGION MIDRANG 1 12.8856 0.00000 100.000 3 -1280.37 -3445.71 45.8168 4 -20.2639 0.00000 100.000 6 -1280.37 0.00000 100.000 � 1 2 % Dif Page 30-------------------------------------------------------------------------------C2H4 NAION MIDRANG 1 12.8856 0.00000 100.000 3 -1280.37 -3445.71 45.8168 4 -20.2639 0.00000 100.000 6 -1280.37 0.00000 100.000 -------------------------------------------------------------------------------C2H4 NH4ION MIDRANG 1 19.4290 0.00000 100.000 3 -1280.37 -1377.60 3.65805 4 -20.2639 0.00000 100.000 6 -1280.37 0.00000 100.000 -------------------------------------------------------------------------------C2H4 NO3ION MIDRANG 1 12.2345 0.00000 100.000 3 -1280.37 -3189.09 42.7058 4 -20.2639 0.00000 100.000 6 -1280.37 0.00000 100.000 -------------------------------------------------------------------------------C2H4 OHION MIDRANG 1 11.2149 0.00000 100.000 3 -1280.37 -3445.71 45.8168 4 -20.2639 0.00000 100.000 6 -1280.37 0.00000 100.000 -------------------------------------------------------------------------------C2H4 SO4ION MIDRANG 1 -4.22419 0.00000 100.000 3 -1280.37 -8000.69 72.4090 4 -20.2639 0.00000 100.000 6 -1280.37 0.00000 100.000 -------------------------------------------------------------------------------C2H6 CAION MIDRANG 1 12.0609 0.00000 100.000 3 -1280.37 -5114.55 59.9566 4 -36.1805 0.00000 100.000 6 -1280.37 0.00000 100.000 -------------------------------------------------------------------------------C2H6 CLION MIDRANG

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MSEPUB-Part 1 of 2.txt 1 20.1239 0.00000 100.000 3 -1280.37 -4081.74 52.2438 4 -36.1805 0.00000 100.000 6 -1280.37 0.00000 100.000 -------------------------------------------------------------------------------C2H6 CO3ION MIDRANG 1 20.1239 0.00000 100.000 3 -1280.37 -8163.48 72.8846 4 -36.1805 0.00000 100.000 6 -1280.37 0.00000 100.000 -------------------------------------------------------------------------------C2H6 H2O SRK 1 0.500000 0.576593 7.11439 � 1 2 % Dif Page 31-------------------------------------------------------------------------------C2H6 H2O UNIQ 1 6075.79 26258.2 62.4186 2 -15075.6 -15789.6 2.31328 3 -5.90912 -60.4794 82.1984 4 113.777 111.138 1.17333 5 0.00000 0.223496E-01 100.000 6 -0.136041 -0.121892 5.48553 -------------------------------------------------------------------------------C2H6 H3OION MIDRANG 1 -6.70070 0.00000 100.000 3 0.00000 -1802.20 100.000 -------------------------------------------------------------------------------C2H6 HSO4ION MIDRANG 1 -4.74520 0.00000 100.000 3 0.00000 -1802.20 100.000 -------------------------------------------------------------------------------C2H6 KION MIDRANG 1 25.8170 0.00000 100.000 3 -1280.37 -4376.71 54.7339 4 -36.1805 0.00000 100.000 6 -1280.37 0.00000 100.000 -------------------------------------------------------------------------------C2H6 LIION MIDRANG 1 27.3546 0.00000 100.000 3 -1280.37 -3931.10 50.8634 4 -36.1805 0.00000 100.000 6 -1280.37 0.00000 100.000 -------------------------------------------------------------------------------C2H6 MGION MIDRANG 1 21.9212 0.00000 100.000 3 -1280.37 -4081.74 52.2438 4 -36.1805 0.00000 100.000 6 -1280.37 0.00000 100.000 -------------------------------------------------------------------------------C2H6 NAION MIDRANG 1 21.9212 0.00000 100.000 3 -1280.37 -4081.74 52.2438 4 -36.1805 0.00000 100.000 6 -1280.37 0.00000 100.000 -------------------------------------------------------------------------------C2H6 NH4ION MIDRANG 1 29.6529 0.00000 100.000 3 -1280.37 -3245.92 43.4252 4 -36.1805 0.00000 100.000 6 -1280.37 0.00000 100.000 -------------------------------------------------------------------------------C2H6 NO3ION MIDRANG 1 20.1239 0.00000 100.000

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MSEPUB-Part 1 of 2.txt 3 -1280.37 -4081.74 52.2438 4 -36.1805 0.00000 100.000 6 -1280.37 0.00000 100.000 � 1 2 % Dif Page 32-------------------------------------------------------------------------------C2H6 OHION MIDRANG 1 20.1239 0.00000 100.000 3 -1280.37 -4081.74 52.2438 4 -36.1805 0.00000 100.000 6 -1280.37 0.00000 100.000 -------------------------------------------------------------------------------C2H6 SO4ION MIDRANG 1 20.1239 0.00000 100.000 3 -1280.37 -8163.48 72.8846 4 -36.1805 0.00000 100.000 6 -1280.37 0.00000 100.000 -------------------------------------------------------------------------------C3H6 CAION MIDRANG 3 -4638.58 -4987.06 3.62033 -------------------------------------------------------------------------------C3H6 CLION MIDRANG 3 -4638.58 -4987.06 3.62033 -------------------------------------------------------------------------------C3H6 CO3ION MIDRANG 3 -9277.16 -9974.12 3.62033 -------------------------------------------------------------------------------C3H6 H2O SRK 1 0.400000 0.647952 23.6606 -------------------------------------------------------------------------------C3H6 H2O UNIQ 1 37549.4 33799.1 5.25631 2 -4010.17 -7679.80 31.3913 3 -113.704 -95.5736 8.66333 4 42.3101 60.7471 17.8901 5 0.839003E-01 0.602822E-01 16.3807 6 -0.429596E-01 -0.639320E-01 19.6203 -------------------------------------------------------------------------------C3H6 H3OION MIDRANG 1 -7.30980 0.00000 100.000 3 0.00000 -4987.06 100.000 -------------------------------------------------------------------------------C3H6 HSO4ION MIDRANG 1 -5.17660 0.00000 100.000 3 0.00000 -4987.06 100.000 -------------------------------------------------------------------------------C3H6 KION MIDRANG 3 -4638.58 -4987.06 3.62033 -------------------------------------------------------------------------------C3H6 LIION MIDRANG 3 -4638.58 -4987.06 3.62033 -------------------------------------------------------------------------------C3H6 MGION MIDRANG 3 -4638.58 -4987.06 3.62033 -------------------------------------------------------------------------------C3H6 NAION MIDRANG 3 -4638.58 -4987.06 3.62033 � 1 2 % Dif Page 33-------------------------------------------------------------------------------C3H6 NH4ION MIDRANG 3 -2319.29 -2493.53 3.62033 -------------------------------------------------------------------------------C3H6 NO3ION MIDRANG 3 -2319.29 -2493.53 3.62033

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MSEPUB-Part 1 of 2.txt-------------------------------------------------------------------------------C3H6 OHION MIDRANG 3 -4638.58 -4987.06 3.62033 -------------------------------------------------------------------------------C3H6 SO4ION MIDRANG 3 -4638.58 -4987.06 3.62033 -------------------------------------------------------------------------------C3H7SH H2O UNIQ 1 16638.6 3134.18 68.2980 2 -4486.10 2397.89 329.659 3 -45.8669 6.84371 135.075 4 26.8694 2.45946 83.2284 -------------------------------------------------------------------------------C3H8 CAION MIDRANG 3 -4048.02 -4079.85 0.391616 -------------------------------------------------------------------------------C3H8 CLION MIDRANG 3 -4048.02 -4079.85 0.391616 -------------------------------------------------------------------------------C3H8 CO3ION MIDRANG 3 -14362.3 -14087.2 0.966975 -------------------------------------------------------------------------------C3H8 H2O SRK 1 0.500000 0.641542 12.3992 -------------------------------------------------------------------------------C3H8 H2O UNIQ 1 30247.8 39162.3 12.8432 2 -5817.28 -13210.0 38.8533 3 -68.1551 -116.468 26.1684 4 55.0588 97.5779 27.8564 5 0.166589E-01 0.792643E-01 65.2662 6 -0.562284E-01 -0.115797 34.6278 -------------------------------------------------------------------------------C3H8 H3OION MIDRANG 1 -7.30980 0.00000 100.000 3 0.00000 -1765.23 100.000 -------------------------------------------------------------------------------C3H8 HSO4ION MIDRANG 1 -5.17660 0.00000 100.000 3 0.00000 -2124.37 100.000 -------------------------------------------------------------------------------C3H8 KION MIDRANG 3 -5875.57 -5690.96 1.59607 -------------------------------------------------------------------------------C3H8 LIION MIDRANG 3 -4048.02 -4079.85 0.391616 � 1 2 % Dif Page 34-------------------------------------------------------------------------------C3H8 MGION MIDRANG 3 -4048.02 -4079.85 0.391616 -------------------------------------------------------------------------------C3H8 NAION MIDRANG 3 -4048.02 -4079.85 0.391616 -------------------------------------------------------------------------------C3H8 NH4ION MIDRANG 3 -2024.01 -2039.93 0.391739 -------------------------------------------------------------------------------C3H8 NO3ION MIDRANG 3 -2024.01 -2039.93 0.391739 -------------------------------------------------------------------------------C3H8 OHION MIDRANG 3 -4048.02 -4079.85 0.391616 -------------------------------------------------------------------------------

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MSEPUB-Part 1 of 2.txtC3H8 SO4ION MIDRANG 3 -4048.02 -4079.85 0.391616 -------------------------------------------------------------------------------C4H10 CAION MIDRANG 3 -4557.46 -4492.37 0.719238 -------------------------------------------------------------------------------C4H10 CLION MIDRANG 3 -4557.46 -4492.37 0.719238 -------------------------------------------------------------------------------C4H10 CO3ION MIDRANG 3 -9114.92 -8984.74 0.719238 -------------------------------------------------------------------------------C4H10 H2O UNIQ 1 37784.6 43685.0 7.24245 2 -9810.20 -7344.43 14.3738 3 -111.577 -145.954 13.3487 4 80.8115 65.0487 10.8068 5 0.817202E-01 0.130874 23.1209 6 -0.102617 -0.780334E-01 13.6084 -------------------------------------------------------------------------------C4H10 H2O SRK 1 0.500000 0.700000 16.6667 -------------------------------------------------------------------------------C4H10 H3OION MIDRANG 1 -7.91900 0.00000 100.000 3 0.00000 -2098.92 100.000 -------------------------------------------------------------------------------C4H10 HSO4ION MIDRANG 1 -5.60790 0.00000 100.000 3 0.00000 -2098.92 100.000 -------------------------------------------------------------------------------C4H10 KION MIDRANG 3 -4557.46 -4492.37 0.719238 -------------------------------------------------------------------------------C4H10 LIION MIDRANG 3 -4557.46 -4492.37 0.719238 � 1 2 % Dif Page 35-------------------------------------------------------------------------------C4H10 MGION MIDRANG 3 -4557.46 -4492.37 0.719238 -------------------------------------------------------------------------------C4H10 NAION MIDRANG 3 -4557.46 -4492.37 0.719238 -------------------------------------------------------------------------------C4H10 NH4ION MIDRANG 3 -2278.73 -2246.19 0.719130 -------------------------------------------------------------------------------C4H10 NO3ION MIDRANG 3 -2278.73 -2246.19 0.719130 -------------------------------------------------------------------------------C4H10 OHION MIDRANG 3 -4557.46 -4492.37 0.719238 -------------------------------------------------------------------------------C4H10 SO4ION MIDRANG 3 -4557.46 -4492.37 0.719238 -------------------------------------------------------------------------------C5H12 CAION MIDRANG 3 -5355.45 -5379.52 0.224219 -------------------------------------------------------------------------------C5H12 CLION MIDRANG 3 -5355.45 -5379.52 0.224219 -------------------------------------------------------------------------------C5H12 CO3ION MIDRANG

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MSEPUB-Part 1 of 2.txt 3 -10710.9 -10759.0 0.224033 -------------------------------------------------------------------------------C5H12 H2O UNIQ 1 42764.5 34038.1 11.3621 2 -11236.7 -3853.18 48.9303 3 -158.335 -98.1971 23.4426 4 88.8587 43.0658 34.7114 5 0.171149 0.648005E-01 45.0726 6 -0.114913 -0.446671E-01 44.0192 -------------------------------------------------------------------------------C5H12 H3OION MIDRANG 1 -8.52810 0.00000 100.000 3 0.00000 -5379.52 100.000 -------------------------------------------------------------------------------C5H12 HSO4ION MIDRANG 1 -6.03930 0.00000 100.000 3 0.00000 -5379.52 100.000 -------------------------------------------------------------------------------C5H12 KION MIDRANG 3 -5355.45 -5379.52 0.224219 -------------------------------------------------------------------------------C5H12 LIION MIDRANG 3 -5355.45 -5379.52 0.224219 -------------------------------------------------------------------------------C5H12 MGION MIDRANG 3 -5355.45 -5379.52 0.224219 � 1 2 % Dif Page 36-------------------------------------------------------------------------------C5H12 NAION MIDRANG 3 -5355.45 -5379.52 0.224219 -------------------------------------------------------------------------------C5H12 NH4ION MIDRANG 3 -2677.73 -2689.76 0.224128 -------------------------------------------------------------------------------C5H12 NO3ION MIDRANG 3 -2677.73 -2689.76 0.224128 -------------------------------------------------------------------------------C5H12 OHION MIDRANG 3 -5355.45 -5379.52 0.224219 -------------------------------------------------------------------------------C5H12 SO4ION MIDRANG 3 -5355.45 -5379.52 0.224219 -------------------------------------------------------------------------------C6H14 CAION MIDRANG 3 -6100.14 -5924.24 1.46286 -------------------------------------------------------------------------------C6H14 CLION MIDRANG 3 -6100.14 -5924.24 1.46286 -------------------------------------------------------------------------------C6H14 CO3ION MIDRANG 3 -12200.3 -11848.5 1.46278 -------------------------------------------------------------------------------C6H14 H2O UNIQ 1 42458.9 31827.2 14.3118 2 -7097.55 -4777.81 19.5341 3 -146.604 -86.1479 25.9745 4 63.2922 49.1652 12.5621 5 0.136714 0.519722E-01 44.9115 6 -0.783493E-01 -0.562970E-01 16.3779 -------------------------------------------------------------------------------C6H14 H3OION MIDRANG 1 -9.13730 0.00000 100.000 3 0.00000 -5924.24 100.000

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MSEPUB-Part 1 of 2.txt-------------------------------------------------------------------------------C6H14 HSO4ION MIDRANG 1 -6.47070 0.00000 100.000 3 0.00000 -5924.24 100.000 -------------------------------------------------------------------------------C6H14 KION MIDRANG 3 -6155.65 -5887.09 2.23006 -------------------------------------------------------------------------------C6H14 LIION MIDRANG 3 -6100.14 -5924.24 1.46286 -------------------------------------------------------------------------------C6H14 MGION MIDRANG 3 -6100.14 -5924.24 1.46286 -------------------------------------------------------------------------------C6H14 NAION MIDRANG 3 -6100.14 -5924.24 1.46286 � 1 2 % Dif Page 37-------------------------------------------------------------------------------C6H14 NH4ION MIDRANG 3 -4067.55 -3951.72 1.44440 -------------------------------------------------------------------------------C6H14 NO3ION MIDRANG 3 -3050.07 -2962.12 1.46286 -------------------------------------------------------------------------------C6H14 OHION MIDRANG 3 -6100.14 -5924.24 1.46286 -------------------------------------------------------------------------------C6H14 SO4ION MIDRANG 3 -5865.10 -5833.50 0.270119 -------------------------------------------------------------------------------C6H14 TOLUENE UNIQ 1 654.283 0.00000 100.000 2 -736.524 0.00000 100.000 3 1.19862 0.332110 56.6077 4 0.307883E-02 0.332110 98.1629 -------------------------------------------------------------------------------C7H16 CAION MIDRANG 3 -5752.82 -6152.63 3.35821 -------------------------------------------------------------------------------C7H16 CLION MIDRANG 3 -5752.82 -6152.63 3.35821 -------------------------------------------------------------------------------C7H16 CO3ION MIDRANG 3 -11505.6 -12305.3 3.35837 -------------------------------------------------------------------------------C7H16 H2O UNIQ 1 46750.1 29730.9 22.2528 2 -13032.0 -5195.65 42.9916 3 -195.498 -74.3675 44.8855 4 100.971 52.1186 31.9110 5 0.249874 0.384469E-01 73.3305 6 -0.137706 -0.625843E-01 37.5064 -------------------------------------------------------------------------------C7H16 H3OION MIDRANG 1 -9.74640 0.00000 100.000 3 0.00000 -6152.63 100.000 -------------------------------------------------------------------------------C7H16 HSO4ION MIDRANG 1 -6.90210 0.00000 100.000 3 0.00000 -6152.63 100.000 -------------------------------------------------------------------------------C7H16 KION MIDRANG 3 -5752.82 -6152.63 3.35821

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MSEPUB-Part 1 of 2.txt-------------------------------------------------------------------------------C7H16 LIION MIDRANG 3 -5752.82 -6152.63 3.35821 -------------------------------------------------------------------------------C7H16 MGION MIDRANG 3 -5752.82 -6152.63 3.35821 � 1 2 % Dif Page 38-------------------------------------------------------------------------------C7H16 NAION MIDRANG 3 -5752.82 -6152.63 3.35821 -------------------------------------------------------------------------------C7H16 NH4ION MIDRANG 3 -2876.41 -3076.32 3.35829 -------------------------------------------------------------------------------C7H16 NO3ION MIDRANG 3 -2876.41 -3076.32 3.35829 -------------------------------------------------------------------------------C7H16 OHION MIDRANG 3 -5752.82 -6152.63 3.35821 -------------------------------------------------------------------------------C7H16 SO4ION MIDRANG 3 -5752.82 -6152.63 3.35821 -------------------------------------------------------------------------------C8H18 CAION MIDRANG 3 -6031.38 -6444.02 3.30763 -------------------------------------------------------------------------------C8H18 CLION MIDRANG 3 -6031.38 -6444.02 3.30763 -------------------------------------------------------------------------------C8H18 CO3ION MIDRANG 3 -12062.8 -12888.0 3.30748 -------------------------------------------------------------------------------C8H18 H2O UNIQ 1 25916.5 27549.2 3.05373 2 -6971.88 -6216.42 5.72826 3 -57.0727 -63.3641 5.22382 4 63.2335 58.9016 3.54681 5 0.224206E-01 0.274559E-01 10.0955 6 -0.803417E-01 -0.738943E-01 4.18022 -------------------------------------------------------------------------------C8H18 H3OION MIDRANG 1 -10.3556 0.00000 100.000 3 0.00000 -6444.02 100.000 -------------------------------------------------------------------------------C8H18 HSO4ION MIDRANG 1 -7.33350 0.00000 100.000 3 0.00000 -6444.02 100.000 -------------------------------------------------------------------------------C8H18 KION MIDRANG 3 -6031.38 -6444.02 3.30763 -------------------------------------------------------------------------------C8H18 LIION MIDRANG 3 -6031.38 -6444.02 3.30763 -------------------------------------------------------------------------------C8H18 MGION MIDRANG 3 -6031.38 -6444.02 3.30763 -------------------------------------------------------------------------------C8H18 NAION MIDRANG 3 -6031.38 -6444.02 3.30763 � 1 2 % Dif Page 39-------------------------------------------------------------------------------C8H18 NH4ION MIDRANG 3 -3015.69 -3222.01 3.30763

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MSEPUB-Part 1 of 2.txt-------------------------------------------------------------------------------C8H18 NO3ION MIDRANG 3 -3015.69 -3222.01 3.30763 -------------------------------------------------------------------------------C8H18 OHION MIDRANG 3 -6031.38 -6444.02 3.30763 -------------------------------------------------------------------------------C8H18 SO4ION MIDRANG 3 -6031.38 -6444.02 3.30763 -------------------------------------------------------------------------------C9H20 CAION MIDRANG 3 -6309.94 -6735.42 3.26154 -------------------------------------------------------------------------------C9H20 CLION MIDRANG 3 -6309.94 -6735.42 3.26154 -------------------------------------------------------------------------------C9H20 CO3ION MIDRANG 3 -12619.9 -13470.8 3.26139 -------------------------------------------------------------------------------C9H20 H2O UNIQ 1 38845.3 27009.8 17.9720 2 -14081.9 -7594.03 29.9312 3 -144.936 -61.3564 40.5151 4 107.342 67.6465 22.6846 5 0.174193 0.279880E-01 72.3139 6 -0.147333 -0.874352E-01 25.5136 -------------------------------------------------------------------------------C9H20 H3OION MIDRANG 1 -10.9647 0.00000 100.000 3 0.00000 -6735.42 100.000 -------------------------------------------------------------------------------C9H20 HSO4ION MIDRANG 1 -7.76480 0.00000 100.000 3 0.00000 -6735.42 100.000 -------------------------------------------------------------------------------C9H20 KION MIDRANG 3 -6309.94 -6735.42 3.26154 -------------------------------------------------------------------------------C9H20 LIION MIDRANG 3 -6309.94 -6735.42 3.26154 -------------------------------------------------------------------------------C9H20 MGION MIDRANG 3 -6309.94 -6735.42 3.26154 -------------------------------------------------------------------------------C9H20 NAION MIDRANG 3 -6309.94 -6735.42 3.26154 -------------------------------------------------------------------------------C9H20 NH4ION MIDRANG 3 -3154.97 -3367.71 3.26154 � 1 2 % Dif Page 40-------------------------------------------------------------------------------C9H20 NO3ION MIDRANG 3 -3154.97 -3367.71 3.26154 -------------------------------------------------------------------------------C9H20 OHION MIDRANG 3 -6309.94 -6735.42 3.26154 -------------------------------------------------------------------------------C9H20 SO4ION MIDRANG 3 -6309.94 -6735.42 3.26154 -------------------------------------------------------------------------------CAION CBUTEN MIDRANG 3 -4917.14 -5278.45 3.54379 -------------------------------------------------------------------------------

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MSEPUB-Part 1 of 2.txtCAION CH4 MIDRANG 1 26.8303 0.00000 100.000 3 -1280.37 -3502.60 46.4613 4 -67.9028 0.00000 100.000 6 -1280.37 0.00000 100.000 -------------------------------------------------------------------------------CAION CUMENE MIDRANG 3 -4628.23 -5221.33 6.02159 -------------------------------------------------------------------------------CAION CYCLOHEXAN MIDRANG 3 -5797.30 -5653.59 1.25501 -------------------------------------------------------------------------------CAION DOCOSAN MIDRANG 3 -9931.22 -10523.5 2.89557 -------------------------------------------------------------------------------CAION DOCTRIACON MIDRANG 3 -12716.8 -13437.5 2.75549 -------------------------------------------------------------------------------CAION ETBNZ MIDRANG 3 -3886.55 -3924.11 0.480882 -------------------------------------------------------------------------------CAION HENEICOSAN MIDRANG 3 -9652.66 -10232.1 2.91399 -------------------------------------------------------------------------------CAION HENTRIACNT MIDRANG 3 -12438.3 -13146.1 2.76669 -------------------------------------------------------------------------------CAION HPTCOSAN MIDRANG 3 -11324.0 -11980.5 2.81697 -------------------------------------------------------------------------------CAION HXCOSAN MIDRANG 3 -11045.5 -11689.1 2.83111 -------------------------------------------------------------------------------CAION HXTACONTAN MIDRANG 3 -13831.1 -14603.0 2.71484 -------------------------------------------------------------------------------CAION IPENTAN MIDRANG 3 -5195.70 -5569.85 3.47544 � 1 2 % Dif Page 41-------------------------------------------------------------------------------CAION ISOBUTANE MIDRANG 3 -4917.14 -5278.45 3.54379 -------------------------------------------------------------------------------CAION ISOBUTENE MIDRANG 3 -4917.14 -5278.45 3.54379 -------------------------------------------------------------------------------CAION MXYLENE MIDRANG 3 -4086.80 -4043.59 0.531462 -------------------------------------------------------------------------------CAION NAPHTHALEN MIDRANG 3 -3275.38 -3465.90 2.82617 -------------------------------------------------------------------------------CAION NEOPENTANE MIDRANG 3 -5195.70 -5569.85 3.47544 -------------------------------------------------------------------------------CAION NONACOSAN MIDRANG 3 -11881.1 -12563.3 2.79066 -------------------------------------------------------------------------------CAION OCTACOSAN MIDRANG 3 -11602.6 -12271.9 2.80350 -------------------------------------------------------------------------------CAION OXYLENE MIDRANG 3 -3851.18 -3940.40 1.14508

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MSEPUB-Part 1 of 2.txt-------------------------------------------------------------------------------CAION PENTCOSAN MIDRANG 3 -10766.9 -11397.7 2.84598 -------------------------------------------------------------------------------CAION PENTTRIACT MIDRANG 3 -13552.5 -14311.6 2.72429 -------------------------------------------------------------------------------CAION PHENANTHR MIDRANG 3 -4649.87 -4463.41 2.04602 -------------------------------------------------------------------------------CAION PXYLENE MIDRANG 3 -4116.13 -4025.98 1.10721 -------------------------------------------------------------------------------CAION TBUTEN MIDRANG 3 -4917.14 -5278.45 3.54379 -------------------------------------------------------------------------------CAION TETRTRIACT MIDRANG 3 -13273.9 -14020.2 2.73414 -------------------------------------------------------------------------------CAION TOLUENE MIDRANG 3 -6440.85 -6265.19 1.38249 -------------------------------------------------------------------------------CAION TRICONTAN MIDRANG 3 -12159.7 -12854.7 2.77840 -------------------------------------------------------------------------------CAION TRICOSAN MIDRANG 3 -10209.8 -10814.9 2.87814 � 1 2 % Dif Page 42-------------------------------------------------------------------------------CAION TTACONT MIDRANG 3 -12995.4 -13728.8 2.74441 -------------------------------------------------------------------------------CAION TTCOSAN MIDRANG 3 -10488.3 -11106.3 2.86164 -------------------------------------------------------------------------------CBUTEN CLION MIDRANG 3 -4917.14 -5278.45 3.54379 -------------------------------------------------------------------------------CBUTEN CO3ION MIDRANG 3 -9834.28 -10556.9 3.54379 -------------------------------------------------------------------------------CBUTEN H2O UNIQ 1 29159.9 23156.2 11.4758 2 -3277.06 -7667.61 40.1159 3 -93.6242 -61.8999 20.3983 4 41.8068 64.4651 21.3211 5 0.817202E-01 0.468122E-01 27.1589 6 -0.518287E-01 -0.802018E-01 21.4898 -------------------------------------------------------------------------------CBUTEN H3OION MIDRANG 1 -7.91900 0.00000 100.000 3 0.00000 -5278.45 100.000 -------------------------------------------------------------------------------CBUTEN HSO4ION MIDRANG 1 -5.60790 0.00000 100.000 3 0.00000 -5278.45 100.000 -------------------------------------------------------------------------------CBUTEN KION MIDRANG 3 -4917.14 -5278.45 3.54379 -------------------------------------------------------------------------------CBUTEN LIION MIDRANG 3 -4917.14 -5278.45 3.54379 -------------------------------------------------------------------------------

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MSEPUB-Part 1 of 2.txtCBUTEN MGION MIDRANG 3 -4917.14 -5278.45 3.54379 -------------------------------------------------------------------------------CBUTEN NAION MIDRANG 3 -4917.14 -5278.45 3.54379 -------------------------------------------------------------------------------CBUTEN NH4ION MIDRANG 3 -2458.57 -2639.23 3.54388 -------------------------------------------------------------------------------CBUTEN NO3ION MIDRANG 3 -2458.57 -2639.23 3.54388 -------------------------------------------------------------------------------CBUTEN OHION MIDRANG 3 -4917.14 -5278.45 3.54379 -------------------------------------------------------------------------------CBUTEN SO4ION MIDRANG 3 -4917.14 -5278.45 3.54379 � 1 2 % Dif Page 43-------------------------------------------------------------------------------CH4 CLION MIDRANG 1 41.8467 -12.8364 188.495 3 -1280.37 1682.63 736.588 4 -67.9028 0.00000 100.000 6 -1280.37 0.00000 100.000 -------------------------------------------------------------------------------CH4 CO3ION MIDRANG 1 15.6864 0.00000 100.000 3 -1280.37 -5704.91 63.3409 4 -67.9028 0.00000 100.000 6 -1280.37 0.00000 100.000 -------------------------------------------------------------------------------CH4 H2O SRK 1 0.500000 0.316865 22.4192 4 0.00000 79.9400 100.000 -------------------------------------------------------------------------------CH4 H2O UNIQ 1 21127.7 33490.8 22.6354 2 -18283.7 -29535.3 23.5296 3 -33.0543 -128.791 59.1532 4 139.365 121.505 6.84633 5 0.00000 0.115248 100.000 6 -0.125276 -0.536762E-01 40.0106 -------------------------------------------------------------------------------CH4 H3OION MIDRANG 1 -6.09150 0.00000 100.000 3 0.00000 754.710 100.000 -------------------------------------------------------------------------------CH4 HCO3ION MIDRANG 1 14.4391 0.00000 100.000 3 -1280.37 -1774.47 16.1743 4 -67.9028 0.00000 100.000 6 -1280.37 0.00000 100.000 -------------------------------------------------------------------------------CH4 HSO4ION MIDRANG 1 -4.31380 0.00000 100.000 3 0.00000 -3889.53 100.000 -------------------------------------------------------------------------------CH4 KION MIDRANG 1 46.2097 0.00000 100.000 3 -1280.37 -2010.27 22.1811 4 -67.9028 0.00000 100.000 6 -1280.37 0.00000 100.000 -------------------------------------------------------------------------------

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MSEPUB-Part 1 of 2.txtCH4 LIION MIDRANG 1 46.2066 0.00000 100.000 3 -1280.37 -2006.40 22.0895 4 -67.9028 0.00000 100.000 6 -1280.37 0.00000 100.000 � 1 2 % Dif Page 44-------------------------------------------------------------------------------CH4 MGION MIDRANG 1 35.8737 0.00000 100.000 3 -1280.37 -2742.43 36.3443 4 -67.9028 0.00000 100.000 6 -1280.37 0.00000 100.000 -------------------------------------------------------------------------------CH4 NAION MIDRANG 1 45.0546 -12.8364 179.684 3 -1280.37 1682.63 736.588 4 -67.9028 0.00000 100.000 6 -1280.37 0.00000 100.000 -------------------------------------------------------------------------------CH4 NH4ION MIDRANG 1 42.7661 0.00000 100.000 3 -1280.37 -1125.52 6.43629 4 -67.9028 0.00000 100.000 6 -1280.37 0.00000 100.000 -------------------------------------------------------------------------------CH4 NO3ION MIDRANG 1 41.8467 0.00000 100.000 3 -1280.37 -3214.53 43.0301 4 -67.9028 0.00000 100.000 6 -1280.37 0.00000 100.000 -------------------------------------------------------------------------------CH4 OHION MIDRANG 1 32.1761 0.00000 100.000 3 -1280.37 -5057.63 59.5970 4 -67.9028 0.00000 100.000 6 -1280.37 0.00000 100.000 -------------------------------------------------------------------------------CH4 SO4ION MIDRANG 1 18.5147 0.00000 100.000 3 -1280.37 -4303.21 54.1380 4 -67.9028 0.00000 100.000 6 -1280.37 0.00000 100.000 -------------------------------------------------------------------------------CLION CUMENE MIDRANG 3 -4628.23 -5221.33 6.02159 -------------------------------------------------------------------------------CLION CYCLOHEXAN MIDRANG 3 -5797.30 -5653.59 1.25501 -------------------------------------------------------------------------------CLION DOCOSAN MIDRANG 3 -9931.22 -10523.5 2.89557 -------------------------------------------------------------------------------CLION DOCTRIACON MIDRANG 3 -12716.8 -13437.5 2.75549 -------------------------------------------------------------------------------CLION ETBNZ MIDRANG 3 -3886.55 -3924.11 0.480882 � 1 2 % Dif Page 45-------------------------------------------------------------------------------CLION HENEICOSAN MIDRANG 3 -9652.66 -10232.1 2.91399 -------------------------------------------------------------------------------CLION HENTRIACNT MIDRANG

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MSEPUB-Part 1 of 2.txt 3 -12438.3 -13146.1 2.76669 -------------------------------------------------------------------------------CLION HPTCOSAN MIDRANG 3 -11324.0 -11980.5 2.81697 -------------------------------------------------------------------------------CLION HXCOSAN MIDRANG 3 -11045.5 -11689.1 2.83111 -------------------------------------------------------------------------------CLION HXTACONTAN MIDRANG 3 -13831.1 -14603.0 2.71484 -------------------------------------------------------------------------------CLION IPENTAN MIDRANG 3 -5195.70 -5569.85 3.47544 -------------------------------------------------------------------------------CLION ISOBUTANE MIDRANG 3 -4917.14 -5278.45 3.54379 -------------------------------------------------------------------------------CLION ISOBUTENE MIDRANG 3 -4917.14 -5278.45 3.54379 -------------------------------------------------------------------------------CLION MXYLENE MIDRANG 3 -4086.80 -4043.59 0.531462 -------------------------------------------------------------------------------CLION NEOPENTANE MIDRANG 3 -5195.70 -5569.85 3.47544 -------------------------------------------------------------------------------CLION NONACOSAN MIDRANG 3 -11881.1 -12563.3 2.79066 -------------------------------------------------------------------------------CLION OCTACOSAN MIDRANG 3 -11602.6 -12271.9 2.80350 -------------------------------------------------------------------------------CLION OXYLENE MIDRANG 3 -3851.18 -3940.40 1.14508 -------------------------------------------------------------------------------CLION PENTCOSAN MIDRANG 3 -10766.9 -11397.7 2.84598 -------------------------------------------------------------------------------CLION PENTTRIACT MIDRANG 3 -13552.5 -14311.6 2.72429 -------------------------------------------------------------------------------CLION PHENANTHR MIDRANG 3 -4649.87 -4463.41 2.04602 -------------------------------------------------------------------------------CLION PXYLENE MIDRANG 3 -4116.13 -4025.98 1.10721 � 1 2 % Dif Page 46-------------------------------------------------------------------------------CLION TBUTEN MIDRANG 3 -4917.14 -5278.45 3.54379 -------------------------------------------------------------------------------CLION TETRTRIACT MIDRANG 3 -13273.9 -14020.2 2.73414 -------------------------------------------------------------------------------CLION TOLUENE MIDRANG 3 -3594.31 -3525.75 0.962914 -------------------------------------------------------------------------------CLION TRICONTAN MIDRANG 3 -12159.7 -12854.7 2.77840 -------------------------------------------------------------------------------CLION TRICOSAN MIDRANG 3 -10209.8 -10814.9 2.87814 -------------------------------------------------------------------------------

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MSEPUB-Part 1 of 2.txtCLION TTACONT MIDRANG 3 -12995.4 -13728.8 2.74441 -------------------------------------------------------------------------------CLION TTCOSAN MIDRANG 3 -10488.3 -11106.3 2.86164 -------------------------------------------------------------------------------CO3ION CUMENE MIDRANG 3 -9256.46 -10442.7 6.02178 -------------------------------------------------------------------------------CO3ION CYCLOHEXAN MIDRANG 3 -11594.6 -11307.2 1.25492 -------------------------------------------------------------------------------CO3ION DOCOSAN MIDRANG 3 -19862.4 -21047.1 2.89580 -------------------------------------------------------------------------------CO3ION DOCTRIACON MIDRANG 3 -25433.6 -26874.9 2.75530 -------------------------------------------------------------------------------CO3ION ETBNZ MIDRANG 3 -7773.10 -7848.22 0.480882 -------------------------------------------------------------------------------CO3ION HENEICOSAN MIDRANG 3 -19305.3 -20464.3 2.91424 -------------------------------------------------------------------------------CO3ION HENTRIACNT MIDRANG 3 -24876.5 -26292.1 2.76650 -------------------------------------------------------------------------------CO3ION HPTCOSAN MIDRANG 3 -22648.0 -23961.0 2.81697 -------------------------------------------------------------------------------CO3ION HXCOSAN MIDRANG 3 -22090.9 -23378.2 2.83111 -------------------------------------------------------------------------------CO3ION HXTACONTAN MIDRANG 3 -27662.1 -29206.1 2.71501 � 1 2 % Dif Page 47-------------------------------------------------------------------------------CO3ION IPENTAN MIDRANG 3 -10391.4 -11139.7 3.47544 -------------------------------------------------------------------------------CO3ION ISOBUTANE MIDRANG 3 -9834.28 -10556.9 3.54379 -------------------------------------------------------------------------------CO3ION ISOBUTENE MIDRANG 3 -9834.28 -10556.9 3.54379 -------------------------------------------------------------------------------CO3ION MXYLENE MIDRANG 3 -8173.60 -8087.18 0.531462 -------------------------------------------------------------------------------CO3ION NEOPENTANE MIDRANG 3 -10391.4 -11139.7 3.47544 -------------------------------------------------------------------------------CO3ION NONACOSAN MIDRANG 3 -23762.3 -25126.6 2.79066 -------------------------------------------------------------------------------CO3ION OCTACOSAN MIDRANG 3 -23205.2 -24543.8 2.80350 -------------------------------------------------------------------------------CO3ION OXYLENE MIDRANG 3 -7702.36 -7880.80 1.14508 -------------------------------------------------------------------------------CO3ION PENTCOSAN MIDRANG 3 -21533.8 -22795.4 2.84598

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MSEPUB-Part 1 of 2.txt-------------------------------------------------------------------------------CO3ION PENTTRIACT MIDRANG 3 -27105.0 -28623.3 2.72447 -------------------------------------------------------------------------------CO3ION PHENANTHR MIDRANG 3 -9299.74 -8926.82 2.04602 -------------------------------------------------------------------------------CO3ION PXYLENE MIDRANG 3 -8232.26 -8051.96 1.10721 -------------------------------------------------------------------------------CO3ION TBUTEN MIDRANG 3 -9834.28 -10556.9 3.54379 -------------------------------------------------------------------------------CO3ION TETRTRIACT MIDRANG 3 -26547.9 -28040.5 2.73432 -------------------------------------------------------------------------------CO3ION TOLUENE MIDRANG 3 -7188.62 -7051.50 0.962914 -------------------------------------------------------------------------------CO3ION TRICONTAN MIDRANG 3 -24319.4 -25709.3 2.77821 -------------------------------------------------------------------------------CO3ION TRICOSAN MIDRANG 3 -20419.6 -21629.8 2.87814 � 1 2 % Dif Page 48-------------------------------------------------------------------------------CO3ION TTACONT MIDRANG 3 -25990.8 -27457.7 2.74459 -------------------------------------------------------------------------------CO3ION TTCOSAN MIDRANG 3 -20976.7 -22212.6 2.86164 -------------------------------------------------------------------------------CUMENE H2O UNIQ 1 -13543.5 -2900.91 64.7186 2 21294.7 17563.0 9.60350 3 101.431 33.4663 50.3825 4 -55.3198 -33.4332 24.6601 5 -0.156173 -0.485530E-01 52.5678 6 0.393461E-01 0.793728E-02 66.4268 -------------------------------------------------------------------------------CUMENE KION MIDRANG 3 -4628.23 -5221.33 6.02159 -------------------------------------------------------------------------------CUMENE LIION MIDRANG 3 -4628.23 -5221.33 6.02159 -------------------------------------------------------------------------------CUMENE MGION MIDRANG 3 -4628.23 -5221.33 6.02159 -------------------------------------------------------------------------------CUMENE NAION MIDRANG 3 -4628.23 -5221.33 6.02159 -------------------------------------------------------------------------------CUMENE NH4ION MIDRANG 3 -2314.12 -2610.67 6.02157 -------------------------------------------------------------------------------CUMENE NO3ION MIDRANG 3 -2314.12 -2610.67 6.02157 -------------------------------------------------------------------------------CUMENE OHION MIDRANG 3 -4628.23 -5221.33 6.02159 -------------------------------------------------------------------------------CUMENE SO4ION MIDRANG 3 -9256.46 -10442.7 6.02178

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MSEPUB-Part 1 of 2.txt-------------------------------------------------------------------------------CYCLOHEXAN H2O UNIQ 1 24005.2 27684.6 7.11823 2 -3220.22 -3247.80 0.426407 3 -42.8306 -63.7923 19.6597 4 40.6044 41.3037 0.853760 5 -0.467481E-02 0.268418E-01 142.178 6 -0.501986E-01 -0.520733E-01 1.83306 -------------------------------------------------------------------------------CYCLOHEXAN H3OION MIDRANG 1 -9.13730 0.00000 100.000 3 0.00000 -5653.59 100.000 � 1 2 % Dif Page 49-------------------------------------------------------------------------------CYCLOHEXAN HSO4ION MIDRANG 1 -6.47070 0.00000 100.000 3 0.00000 -5653.59 100.000 -------------------------------------------------------------------------------CYCLOHEXAN KION MIDRANG 3 -5797.30 -5653.59 1.25501 -------------------------------------------------------------------------------CYCLOHEXAN LIION MIDRANG 3 -5797.30 -5653.59 1.25501 -------------------------------------------------------------------------------CYCLOHEXAN MGION MIDRANG 3 -5797.30 -5653.59 1.25501 -------------------------------------------------------------------------------CYCLOHEXAN NAION MIDRANG 3 -5797.30 -5653.59 1.25501 -------------------------------------------------------------------------------CYCLOHEXAN NH4ION MIDRANG 3 -2898.65 -2826.80 1.25492 -------------------------------------------------------------------------------CYCLOHEXAN NO3ION MIDRANG 3 -2898.65 -2826.80 1.25492 -------------------------------------------------------------------------------CYCLOHEXAN OHION MIDRANG 3 -5797.30 -5653.59 1.25501 -------------------------------------------------------------------------------CYCLOHEXAN SO4ION MIDRANG 3 -5797.30 -5653.59 1.25501 -------------------------------------------------------------------------------DOCOSAN H2O UNIQ 1 26273.9 31998.8 9.82433 2 -9236.88 -6251.59 19.2743 3 -53.1356 -87.6294 24.5045 4 67.3551 46.4538 18.3653 5 0.289790E-01 0.803431E-01 46.9842 6 -0.103216 -0.668112E-01 21.4112 -------------------------------------------------------------------------------DOCOSAN H3OION MIDRANG 1 -18.8837 0.00000 100.000 3 0.00000 -10523.5 100.000 -------------------------------------------------------------------------------DOCOSAN HSO4ION MIDRANG 1 -13.3728 0.00000 100.000 3 0.00000 -10523.5 100.000 -------------------------------------------------------------------------------DOCOSAN KION MIDRANG 3 -9931.22 -10523.5 2.89557 -------------------------------------------------------------------------------DOCOSAN LIION MIDRANG 3 -9931.22 -10523.5 2.89557

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MSEPUB-Part 1 of 2.txt� 1 2 % Dif Page 50-------------------------------------------------------------------------------DOCOSAN MGION MIDRANG 3 -9931.22 -10523.5 2.89557 -------------------------------------------------------------------------------DOCOSAN NAION MIDRANG 3 -9931.22 -10523.5 2.89557 -------------------------------------------------------------------------------DOCOSAN NH4ION MIDRANG 3 -4965.61 -5261.76 2.89566 -------------------------------------------------------------------------------DOCOSAN NO3ION MIDRANG 3 -4965.61 -5261.76 2.89566 -------------------------------------------------------------------------------DOCOSAN OHION MIDRANG 3 -9931.22 -10523.5 2.89557 -------------------------------------------------------------------------------DOCOSAN SO4ION MIDRANG 3 -9931.22 -10523.5 2.89557 -------------------------------------------------------------------------------DOCTRIACON H2O UNIQ 1 26273.9 33492.0 12.0773 2 -9236.88 -4613.23 33.3835 3 -49.1603 -94.9570 31.7774 4 63.3782 31.8221 33.1471 5 0.289790E-01 0.101495 55.5789 6 -0.103216 -0.494565E-01 35.2123 -------------------------------------------------------------------------------DOCTRIACON H3OION MIDRANG 1 -24.9752 0.00000 100.000 3 0.00000 -13437.5 100.000 -------------------------------------------------------------------------------DOCTRIACON HSO4ION MIDRANG 1 -17.6866 0.00000 100.000 3 0.00000 -13437.5 100.000 -------------------------------------------------------------------------------DOCTRIACON KION MIDRANG 3 -12716.8 -13437.5 2.75549 -------------------------------------------------------------------------------DOCTRIACON LIION MIDRANG 3 -12716.8 -13437.5 2.75549 -------------------------------------------------------------------------------DOCTRIACON MGION MIDRANG 3 -12716.8 -13437.5 2.75549 -------------------------------------------------------------------------------DOCTRIACON NAION MIDRANG 3 -12716.8 -13437.5 2.75549 -------------------------------------------------------------------------------DOCTRIACON NH4ION MIDRANG 3 -6358.41 -6718.73 2.75534 -------------------------------------------------------------------------------DOCTRIACON NO3ION MIDRANG 3 -6358.41 -6718.73 2.75534 � 1 2 % Dif Page 51-------------------------------------------------------------------------------DOCTRIACON OHION MIDRANG 3 -12716.8 -13437.5 2.75549 -------------------------------------------------------------------------------DOCTRIACON SO4ION MIDRANG 3 -12716.8 -13437.5 2.75549 -------------------------------------------------------------------------------ETBNZ H2O UNIQ 1 19190.8 18474.4 1.90202

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MSEPUB-Part 1 of 2.txt 2 -4226.80 -2590.73 23.9980 3 -42.9656 -39.3670 4.37081 4 40.2829 31.6995 11.9243 5 0.181332E-01 0.143443E-01 11.6662 6 -0.554310E-01 -0.454019E-01 9.94626 -------------------------------------------------------------------------------ETBNZ KION MIDRANG 3 -3886.55 -3924.11 0.480882 -------------------------------------------------------------------------------ETBNZ LIION MIDRANG 3 -3886.55 -3924.11 0.480882 -------------------------------------------------------------------------------ETBNZ MGION MIDRANG 3 -3886.55 -3924.11 0.480882 -------------------------------------------------------------------------------ETBNZ NAION MIDRANG 3 -3886.55 -3924.11 0.480882 -------------------------------------------------------------------------------ETBNZ NH4ION MIDRANG 3 -1943.28 -1962.06 0.480881 -------------------------------------------------------------------------------ETBNZ NO3ION MIDRANG 3 -1943.28 -1962.06 0.480881 -------------------------------------------------------------------------------ETBNZ OHION MIDRANG 3 -3886.55 -3924.11 0.480882 -------------------------------------------------------------------------------ETBNZ SO4ION MIDRANG 3 -7773.10 -7848.22 0.480882 -------------------------------------------------------------------------------ETMCAPTAN H2O UNIQ 1 12515.5 1798.16 74.8750 2 -8014.24 4467.67 351.943 3 -37.8494 6.56977 142.007 4 40.0430 -3.51578 119.250 -------------------------------------------------------------------------------H2O HENEICOSAN UNIQ 1 26273.9 31873.4 9.62985 2 -9236.88 -6457.24 17.7113 3 -53.5974 -86.9670 23.7397 4 67.9420 48.3912 16.8059 5 0.289790E-01 0.779907E-01 45.8183 6 -0.103216 -0.690445E-01 19.8371 � 1 2 % Dif Page 52-------------------------------------------------------------------------------H2O HENTRIACNT UNIQ 1 26273.9 33306.1 11.8030 2 -9236.88 -4749.36 32.0853 3 -49.5106 -94.0492 31.0244 4 63.6688 32.9892 31.7404 5 0.289790E-01 0.993590E-01 54.8396 6 -0.103216 -0.508683E-01 33.9734 -------------------------------------------------------------------------------H2O HPTCOSAN UNIQ 1 26273.9 32676.1 10.8604 2 -9236.88 -5344.88 26.6909 3 -51.0120 -91.0070 28.1617 4 65.0298 38.2092 25.9791 5 0.289790E-01 0.911846E-01 51.7674 6 -0.103216 -0.571288E-01 28.7426 -------------------------------------------------------------------------------H2O HXCOSAN UNIQ 1 26273.9 32530.0 10.6389

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MSEPUB-Part 1 of 2.txt 2 -9236.88 -5510.04 25.2720 3 -51.4138 -90.2933 27.4365 4 65.4295 39.6830 24.4942 5 0.289790E-01 0.890827E-01 50.9087 6 -0.103216 -0.588776E-01 27.3536 -------------------------------------------------------------------------------H2O HXTACONTAN UNIQ 1 26273.9 34551.5 13.6088 2 -9236.88 -4127.49 38.2314 3 -47.8548 -100.310 35.4033 4 62.3678 27.6828 38.5172 5 0.289790E-01 0.111961 58.8775 6 -0.103216 -0.444152E-01 39.8295 -------------------------------------------------------------------------------H2O IPENTAN UNIQ 1 -11236.7 -3832.21 49.1375 2 42764.5 34647.7 10.4852 3 88.3643 42.0765 35.4857 4 -158.426 -101.979 21.6766 5 -0.114913 -0.430509E-01 45.4927 6 0.171149 0.695668E-01 42.2001 -------------------------------------------------------------------------------H2O ISOBUTANE UNIQ 1 -9810.20 -6910.22 17.3439 2 37784.6 40391.9 3.33514 3 80.7301 61.9038 13.1990 4 -111.602 -128.992 7.22795 5 -0.102617 -0.728829E-01 16.9425 6 0.817202E-01 0.110061 14.7777 -------------------------------------------------------------------------------H2O ISOBUTENE UNIQ 1 -3277.06 -7353.14 38.3443 2 29159.9 23483.9 10.7819 3 40.8685 62.1158 20.6316 4 -91.9149 -62.1736 19.3014 5 -0.518287E-01 -0.766607E-01 19.3261 6 0.817202E-01 0.477052E-01 26.2816 � 1 2 % Dif Page 53-------------------------------------------------------------------------------H2O MXYLENE UNIQ 1 -4436.76 -2730.42 23.8077 2 21777.1 18533.8 8.04571 3 42.9634 32.5768 13.7498 4 -60.1128 -39.8171 20.3099 5 -0.626659E-01 -0.466908E-01 14.6083 6 0.464882E-01 0.149456E-01 51.3440 -------------------------------------------------------------------------------H2O NAPHTHALEN UNIQ 1 19932.6 20641.1 1.74621 2 1265.61 -2156.75 384.043 3 -49.2750 -55.3257 5.78457 4 15.3723 33.4856 37.0734 5 0.226259E-01 0.414193E-01 29.3440 6 -0.348701E-01 -0.587897E-01 25.5388 -------------------------------------------------------------------------------H2O NEOPENTANE UNIQ 1 -11236.7 -3685.50 50.6038 2 42764.5 34469.7 10.7398 3 89.3581 42.1076 35.9413 4 -158.335 -100.554 22.3188 5 -0.114913 -0.417200E-01 46.7290 6 0.171149 0.678239E-01 43.2372 -------------------------------------------------------------------------------

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MSEPUB-Part 1 of 2.txtH2O NONACOSAN UNIQ 1 26273.9 32965.4 11.2957 2 -9236.88 -5030.99 29.4780 3 -50.2400 -92.3969 29.5554 4 64.3059 35.4532 28.9224 5 0.289790E-01 0.951892E-01 53.3230 6 -0.103216 -0.538345E-01 31.4431 -------------------------------------------------------------------------------H2O OCTACOSAN UNIQ 1 26273.9 32820.0 11.0775 2 -9236.88 -5186.90 28.0785 3 -50.6209 -91.7017 28.8646 4 64.6557 36.8083 27.4456 5 0.289790E-01 0.932123E-01 52.5678 6 -0.103216 -0.554580E-01 30.0982 -------------------------------------------------------------------------------H2O OXYLENE UNIQ 1 -5769.37 -2908.12 32.9732 2 19399.1 16814.1 7.13828 3 51.6247 33.2400 21.6635 4 -51.9684 -31.3813 24.6997 5 -0.777361E-01 -0.489882E-01 22.6854 6 0.464882E-01 0.707147E-02 73.5941 -------------------------------------------------------------------------------H2O PENTCOSAN UNIQ 1 26273.9 32392.2 10.4290 2 -9236.88 -5683.80 23.8131 3 -51.8276 -89.6207 26.7187 4 65.8584 41.2455 22.9804 5 0.289790E-01 0.869864E-01 50.0213 6 -0.103216 -0.607277E-01 25.9164 � 1 2 % Dif Page 54-------------------------------------------------------------------------------H2O PENTTRIACT UNIQ 1 26273.9 34227.4 13.1460 2 -9236.88 -4242.28 37.0542 3 -48.1687 -98.6486 34.3828 4 62.6005 28.6529 37.2015 5 0.289790E-01 0.108969 57.9856 6 -0.103216 -0.456017E-01 38.7147 -------------------------------------------------------------------------------H2O PHENANTHR UNIQ 1 3589.71 -1582.41 257.666 2 19932.6 32624.4 24.1486 3 7.34799 32.0848 62.7316 4 -48.6630 -121.631 42.8483 5 -0.348701E-01 -0.644315E-01 29.7693 6 0.226259E-01 0.135611 71.4025 -------------------------------------------------------------------------------H2O PXYLENE UNIQ 1 -5326.93 -2677.50 33.0995 2 20821.6 18676.5 5.43089 3 48.1989 32.3481 19.6789 4 -56.8068 -40.4387 16.8317 5 -0.703107E-01 -0.462032E-01 20.6907 6 0.464882E-01 0.153262E-01 50.4122 -------------------------------------------------------------------------------H2O TBUTEN UNIQ 1 -3277.06 -7858.43 41.1421 2 29159.9 23414.9 10.9273 3 41.8068 65.6277 22.1725 4 -93.6371 -63.6551 19.0613 5 -0.518287E-01 -0.819469E-01 22.5140

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MSEPUB-Part 1 of 2.txt 6 0.817202E-01 0.497684E-01 24.3001 -------------------------------------------------------------------------------H2O TETRTRIACT UNIQ 1 26273.9 33949.6 12.7454 2 -9236.88 -4363.99 35.8278 3 -48.4902 -97.2411 33.4526 4 62.8455 29.6785 35.8469 5 0.289790E-01 0.106279 57.1500 6 -0.103216 -0.468534E-01 37.5577 -------------------------------------------------------------------------------H2O TOLUENE UNIQ 1 19475.6 20548.8 2.68137 2 -4327.16 -1977.16 37.2760 3 -46.0315 -51.1452 5.26227 4 40.2898 27.5393 18.7980 5 0.210954E-01 0.264314E-01 11.2273 6 -0.546578E-01 -0.378510E-01 18.1678 -------------------------------------------------------------------------------H2O TRICONTAN UNIQ 1 26273.9 33133.0 11.5460 2 -9236.88 -4888.95 30.7800 3 -49.8703 -93.2100 30.2905 4 63.9776 34.2008 30.3293 5 0.289790E-01 0.972785E-01 54.0954 6 -0.103216 -0.523302E-01 32.7143 � 1 2 % Dif Page 55-------------------------------------------------------------------------------H2O TRICOSAN UNIQ 1 26273.9 32118.4 10.0090 2 -9236.88 -6054.40 20.8124 3 -52.6881 -88.2444 25.2293 4 66.8179 44.6238 19.9154 5 0.289790E-01 0.825619E-01 48.0388 6 -0.103216 -0.646868E-01 22.9473 -------------------------------------------------------------------------------H2O TTACONT UNIQ 1 26273.9 33710.5 12.3976 2 -9236.88 -4486.90 34.6113 3 -48.8203 -96.0427 32.5980 4 63.1040 30.7302 34.5011 5 0.289790E-01 0.103830 56.3599 6 -0.103216 -0.481327E-01 36.3950 -------------------------------------------------------------------------------H2O TTCOSAN UNIQ 1 26273.9 32249.7 10.2109 2 -9236.88 -5862.03 22.3516 3 -52.2524 -88.9080 25.9673 4 66.3203 42.8729 21.4733 5 0.289790E-01 0.847721E-01 49.0484 6 -0.103216 -0.626387E-01 24.4656 -------------------------------------------------------------------------------H3OION HENEICOSAN MIDRANG 1 -18.2746 0.00000 100.000 3 0.00000 -10232.1 100.000 -------------------------------------------------------------------------------H3OION HENTRIACNT MIDRANG 1 -24.3661 0.00000 100.000 3 0.00000 -13146.1 100.000 -------------------------------------------------------------------------------H3OION HPTCOSAN MIDRANG 1 -21.9295 0.00000 100.000 3 0.00000 -11980.5 100.000 -------------------------------------------------------------------------------

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MSEPUB-Part 1 of 2.txtH3OION HXCOSAN MIDRANG 1 -21.3203 0.00000 100.000 3 0.00000 -11689.1 100.000 -------------------------------------------------------------------------------H3OION HXTACONTAN MIDRANG 1 -27.4118 0.00000 100.000 3 0.00000 -14603.0 100.000 -------------------------------------------------------------------------------H3OION IPENTAN MIDRANG 1 -8.52810 0.00000 100.000 3 0.00000 -5569.85 100.000 -------------------------------------------------------------------------------H3OION ISOBUTANE MIDRANG 1 -7.91900 0.00000 100.000 3 0.00000 -2050.47 100.000 � 1 2 % Dif Page 56-------------------------------------------------------------------------------H3OION ISOBUTENE MIDRANG 1 -7.91900 0.00000 100.000 3 0.00000 -5278.45 100.000 -------------------------------------------------------------------------------H3OION NAPHTHALEN MIDRANG 3 2.28000 553.920 99.1801 -------------------------------------------------------------------------------H3OION NEOPENTANE MIDRANG 1 -8.52810 0.00000 100.000 3 0.00000 -5569.85 100.000 -------------------------------------------------------------------------------H3OION NONACOSAN MIDRANG 1 -23.1478 0.00000 100.000 3 0.00000 -12563.3 100.000 -------------------------------------------------------------------------------H3OION OCTACOSAN MIDRANG 1 -22.5386 0.00000 100.000 3 0.00000 -12271.9 100.000 -------------------------------------------------------------------------------H3OION PENTCOSAN MIDRANG 1 -20.7112 0.00000 100.000 3 0.00000 -11397.7 100.000 -------------------------------------------------------------------------------H3OION PENTTRIACT MIDRANG 1 -26.8027 0.00000 100.000 3 0.00000 -14311.6 100.000 -------------------------------------------------------------------------------H3OION TBUTEN MIDRANG 1 -7.91900 0.00000 100.000 3 0.00000 -5278.45 100.000 -------------------------------------------------------------------------------H3OION TETRTRIACT MIDRANG 1 -26.1935 0.00000 100.000 3 0.00000 -14020.2 100.000 -------------------------------------------------------------------------------H3OION TRICONTAN MIDRANG 1 -23.7569 0.00000 100.000 3 0.00000 -12854.7 100.000 -------------------------------------------------------------------------------H3OION TRICOSAN MIDRANG 1 -19.4929 0.00000 100.000 3 0.00000 -10814.9 100.000 -------------------------------------------------------------------------------H3OION TTACONT MIDRANG 1 -25.5844 0.00000 100.000 3 0.00000 -13728.8 100.000

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MSEPUB-Part 1 of 2.txt-------------------------------------------------------------------------------H3OION TTCOSAN MIDRANG 1 -20.1020 0.00000 100.000 3 0.00000 -11106.3 100.000 � 1 2 % Dif Page 57-------------------------------------------------------------------------------HCO3ION NAPHTHALEN MIDRANG 3 -5242.57 -5510.36 2.49039 -------------------------------------------------------------------------------HENEICOSAN HSO4ION MIDRANG 1 -12.9414 0.00000 100.000 3 0.00000 -10232.1 100.000 -------------------------------------------------------------------------------HENEICOSAN KION MIDRANG 3 -9652.66 -10232.1 2.91399 -------------------------------------------------------------------------------HENEICOSAN LIION MIDRANG 3 -9652.66 -10232.1 2.91399 -------------------------------------------------------------------------------HENEICOSAN MGION MIDRANG 3 -9652.66 -10232.1 2.91399 -------------------------------------------------------------------------------HENEICOSAN NAION MIDRANG 3 -9652.66 -10232.1 2.91399 -------------------------------------------------------------------------------HENEICOSAN NH4ION MIDRANG 3 -4826.33 -5116.07 2.91418 -------------------------------------------------------------------------------HENEICOSAN NO3ION MIDRANG 3 -4826.33 -5116.07 2.91418 -------------------------------------------------------------------------------HENEICOSAN OHION MIDRANG 3 -9652.66 -10232.1 2.91399 -------------------------------------------------------------------------------HENEICOSAN SO4ION MIDRANG 3 -9652.66 -10232.1 2.91399 -------------------------------------------------------------------------------HENTRIACNT HSO4ION MIDRANG 1 -17.2552 0.00000 100.000 3 0.00000 -13146.1 100.000 -------------------------------------------------------------------------------HENTRIACNT KION MIDRANG 3 -12438.3 -13146.1 2.76669 -------------------------------------------------------------------------------HENTRIACNT LIION MIDRANG 3 -12438.3 -13146.1 2.76669 -------------------------------------------------------------------------------HENTRIACNT MGION MIDRANG 3 -12438.3 -13146.1 2.76669 -------------------------------------------------------------------------------HENTRIACNT NAION MIDRANG 3 -12438.3 -13146.1 2.76669 -------------------------------------------------------------------------------HENTRIACNT NH4ION MIDRANG 3 -6219.13 -6573.03 2.76654 � 1 2 % Dif Page 58-------------------------------------------------------------------------------HENTRIACNT NO3ION MIDRANG 3 -6219.13 -6573.03 2.76654 -------------------------------------------------------------------------------HENTRIACNT OHION MIDRANG 3 -12438.3 -13146.1 2.76669 -------------------------------------------------------------------------------

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MSEPUB-Part 1 of 2.txtHENTRIACNT SO4ION MIDRANG 3 -12438.3 -13146.1 2.76669 -------------------------------------------------------------------------------HPTCOSAN HSO4ION MIDRANG 1 -15.5297 0.00000 100.000 3 0.00000 -11980.5 100.000 -------------------------------------------------------------------------------HPTCOSAN KION MIDRANG 3 -11324.0 -11980.5 2.81697 -------------------------------------------------------------------------------HPTCOSAN LIION MIDRANG 3 -11324.0 -11980.5 2.81697 -------------------------------------------------------------------------------HPTCOSAN MGION MIDRANG 3 -11324.0 -11980.5 2.81697 -------------------------------------------------------------------------------HPTCOSAN NAION MIDRANG 3 -11324.0 -11980.5 2.81697 -------------------------------------------------------------------------------HPTCOSAN NH4ION MIDRANG 3 -5662.01 -5990.25 2.81697 -------------------------------------------------------------------------------HPTCOSAN NO3ION MIDRANG 3 -5662.01 -5990.25 2.81697 -------------------------------------------------------------------------------HPTCOSAN OHION MIDRANG 3 -11324.0 -11980.5 2.81697 -------------------------------------------------------------------------------HPTCOSAN SO4ION MIDRANG 3 -11324.0 -11980.5 2.81697 -------------------------------------------------------------------------------HSO4ION HXCOSAN MIDRANG 1 -15.0983 0.00000 100.000 3 0.00000 -11689.1 100.000 -------------------------------------------------------------------------------HSO4ION HXTACONTAN MIDRANG 1 -19.4121 0.00000 100.000 3 0.00000 -14603.0 100.000 -------------------------------------------------------------------------------HSO4ION IPENTAN MIDRANG 1 -6.03930 0.00000 100.000 3 0.00000 -5569.85 100.000 -------------------------------------------------------------------------------HSO4ION ISOBUTANE MIDRANG 1 -5.60790 0.00000 100.000 3 0.00000 -2050.47 100.000 � 1 2 % Dif Page 59-------------------------------------------------------------------------------HSO4ION ISOBUTENE MIDRANG 1 -5.60790 0.00000 100.000 3 0.00000 -5278.45 100.000 -------------------------------------------------------------------------------HSO4ION NEOPENTANE MIDRANG 1 -6.03930 0.00000 100.000 3 0.00000 -5569.85 100.000 -------------------------------------------------------------------------------HSO4ION NONACOSAN MIDRANG 1 -16.3925 0.00000 100.000 3 0.00000 -12563.3 100.000 -------------------------------------------------------------------------------HSO4ION OCTACOSAN MIDRANG 1 -15.9611 0.00000 100.000 3 0.00000 -12271.9 100.000

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MSEPUB-Part 1 of 2.txt-------------------------------------------------------------------------------HSO4ION PENTCOSAN MIDRANG 1 -14.6669 0.00000 100.000 3 0.00000 -11397.7 100.000 -------------------------------------------------------------------------------HSO4ION PENTTRIACT MIDRANG 1 -18.9807 0.00000 100.000 3 0.00000 -14311.6 100.000 -------------------------------------------------------------------------------HSO4ION TBUTEN MIDRANG 1 -5.60790 0.00000 100.000 3 0.00000 -5278.45 100.000 -------------------------------------------------------------------------------HSO4ION TETRTRIACT MIDRANG 1 -18.5494 0.00000 100.000 3 0.00000 -14020.2 100.000 -------------------------------------------------------------------------------HSO4ION TRICONTAN MIDRANG 1 -16.8238 0.00000 100.000 3 0.00000 -12854.7 100.000 -------------------------------------------------------------------------------HSO4ION TRICOSAN MIDRANG 1 -13.8042 0.00000 100.000 3 0.00000 -10814.9 100.000 -------------------------------------------------------------------------------HSO4ION TTACONT MIDRANG 1 -18.1180 0.00000 100.000 3 0.00000 -13728.8 100.000 -------------------------------------------------------------------------------HSO4ION TTCOSAN MIDRANG 1 -14.2355 0.00000 100.000 3 0.00000 -11106.3 100.000 -------------------------------------------------------------------------------HXCOSAN KION MIDRANG 3 -11045.5 -11689.1 2.83111 � 1 2 % Dif Page 60-------------------------------------------------------------------------------HXCOSAN LIION MIDRANG 3 -11045.5 -11689.1 2.83111 -------------------------------------------------------------------------------HXCOSAN MGION MIDRANG 3 -11045.5 -11689.1 2.83111 -------------------------------------------------------------------------------HXCOSAN NAION MIDRANG 3 -11045.5 -11689.1 2.83111 -------------------------------------------------------------------------------HXCOSAN NH4ION MIDRANG 3 -5522.73 -5844.55 2.83111 -------------------------------------------------------------------------------HXCOSAN NO3ION MIDRANG 3 -5522.73 -5844.55 2.83111 -------------------------------------------------------------------------------HXCOSAN OHION MIDRANG 3 -11045.5 -11689.1 2.83111 -------------------------------------------------------------------------------HXCOSAN SO4ION MIDRANG 3 -11045.5 -11689.1 2.83111 -------------------------------------------------------------------------------HXTACONTAN KION MIDRANG 3 -13831.1 -14603.0 2.71484 -------------------------------------------------------------------------------HXTACONTAN LIION MIDRANG 3 -13831.1 -14603.0 2.71484

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MSEPUB-Part 1 of 2.txt-------------------------------------------------------------------------------HXTACONTAN MGION MIDRANG 3 -13831.1 -14603.0 2.71484 -------------------------------------------------------------------------------HXTACONTAN NAION MIDRANG 3 -13831.1 -14603.0 2.71484 -------------------------------------------------------------------------------HXTACONTAN NH4ION MIDRANG 3 -6915.53 -7301.51 2.71491 -------------------------------------------------------------------------------HXTACONTAN NO3ION MIDRANG 3 -6915.53 -7301.51 2.71491 -------------------------------------------------------------------------------HXTACONTAN OHION MIDRANG 3 -13831.1 -14603.0 2.71484 -------------------------------------------------------------------------------HXTACONTAN SO4ION MIDRANG 3 -13831.1 -14603.0 2.71484 -------------------------------------------------------------------------------IPENTAN KION MIDRANG 3 -5195.70 -5569.85 3.47544 -------------------------------------------------------------------------------IPENTAN LIION MIDRANG 3 -5195.70 -5569.85 3.47544 � 1 2 % Dif Page 61-------------------------------------------------------------------------------IPENTAN MGION MIDRANG 3 -5195.70 -5569.85 3.47544 -------------------------------------------------------------------------------IPENTAN NAION MIDRANG 3 -5195.70 -5569.85 3.47544 -------------------------------------------------------------------------------IPENTAN NH4ION MIDRANG 3 -2597.85 -2784.92 3.47534 -------------------------------------------------------------------------------IPENTAN NO3ION MIDRANG 3 -2597.85 -2784.92 3.47534 -------------------------------------------------------------------------------IPENTAN OHION MIDRANG 3 -5195.70 -5569.85 3.47544 -------------------------------------------------------------------------------IPENTAN SO4ION MIDRANG 3 -5195.70 -5569.85 3.47544 -------------------------------------------------------------------------------ISOBUTANE KION MIDRANG 3 -4917.14 -5278.45 3.54379 -------------------------------------------------------------------------------ISOBUTANE LIION MIDRANG 3 -4917.14 -5278.45 3.54379 -------------------------------------------------------------------------------ISOBUTANE MGION MIDRANG 3 -4917.14 -5278.45 3.54379 -------------------------------------------------------------------------------ISOBUTANE NAION MIDRANG 3 -4917.14 -5278.45 3.54379 -------------------------------------------------------------------------------ISOBUTANE NH4ION MIDRANG 3 -2458.57 -2639.23 3.54388 -------------------------------------------------------------------------------ISOBUTANE NO3ION MIDRANG 3 -2458.57 -2639.23 3.54388 -------------------------------------------------------------------------------ISOBUTANE OHION MIDRANG

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MSEPUB-Part 1 of 2.txt 3 -4917.14 -5278.45 3.54379 -------------------------------------------------------------------------------ISOBUTANE SO4ION MIDRANG 3 -4917.14 -5278.45 3.54379 -------------------------------------------------------------------------------ISOBUTENE KION MIDRANG 3 -4917.14 -5278.45 3.54379 -------------------------------------------------------------------------------ISOBUTENE LIION MIDRANG 3 -4917.14 -5278.45 3.54379 -------------------------------------------------------------------------------ISOBUTENE MGION MIDRANG 3 -4917.14 -5278.45 3.54379 � 1 2 % Dif Page 62-------------------------------------------------------------------------------ISOBUTENE NAION MIDRANG 3 -4917.14 -5278.45 3.54379 -------------------------------------------------------------------------------ISOBUTENE NH4ION MIDRANG 3 -2458.57 -2639.23 3.54388 -------------------------------------------------------------------------------ISOBUTENE NO3ION MIDRANG 3 -2458.57 -2639.23 3.54388 -------------------------------------------------------------------------------ISOBUTENE OHION MIDRANG 3 -4917.14 -5278.45 3.54379 -------------------------------------------------------------------------------ISOBUTENE SO4ION MIDRANG 3 -4917.14 -5278.45 3.54379 -------------------------------------------------------------------------------KION MXYLENE MIDRANG 3 -3947.61 -3741.99 2.67400 -------------------------------------------------------------------------------KION NAPHTHALEN MIDRANG 3 -2841.75 -2969.83 2.20388 -------------------------------------------------------------------------------KION NEOPENTANE MIDRANG 3 -5195.70 -5569.85 3.47544 -------------------------------------------------------------------------------KION NONACOSAN MIDRANG 3 -11881.1 -12563.3 2.79066 -------------------------------------------------------------------------------KION OCTACOSAN MIDRANG 3 -11602.6 -12271.9 2.80350 -------------------------------------------------------------------------------KION OXYLENE MIDRANG 3 -3003.59 -3440.47 6.77957 -------------------------------------------------------------------------------KION PENTCOSAN MIDRANG 3 -10766.9 -11397.7 2.84598 -------------------------------------------------------------------------------KION PENTTRIACT MIDRANG 3 -13552.5 -14311.6 2.72429 -------------------------------------------------------------------------------KION PHENANTHR MIDRANG 3 -3684.43 -3582.82 1.39819 -------------------------------------------------------------------------------KION PXYLENE MIDRANG 3 -4096.39 -3642.46 5.86560 -------------------------------------------------------------------------------KION TBUTEN MIDRANG 3 -4917.14 -5278.45 3.54379 -------------------------------------------------------------------------------

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MSEPUB-Part 1 of 2.txtKION TETRTRIACT MIDRANG 3 -13273.9 -14020.2 2.73414 � 1 2 % Dif Page 63-------------------------------------------------------------------------------KION TOLUENE MIDRANG 3 -4242.85 -4000.78 2.93645 -------------------------------------------------------------------------------KION TRICONTAN MIDRANG 3 -12159.7 -12854.7 2.77840 -------------------------------------------------------------------------------KION TRICOSAN MIDRANG 3 -10209.8 -10814.9 2.87814 -------------------------------------------------------------------------------KION TTACONT MIDRANG 3 -12995.4 -13728.8 2.74441 -------------------------------------------------------------------------------KION TTCOSAN MIDRANG 3 -10488.3 -11106.3 2.86164 -------------------------------------------------------------------------------LIION MXYLENE MIDRANG 3 -3749.39 -3327.59 5.96017 -------------------------------------------------------------------------------LIION NAPHTHALEN MIDRANG 3 -2668.71 -2128.71 11.2561 -------------------------------------------------------------------------------LIION NEOPENTANE MIDRANG 3 -5195.70 -5569.85 3.47544 -------------------------------------------------------------------------------LIION NONACOSAN MIDRANG 3 -11881.1 -12563.3 2.79066 -------------------------------------------------------------------------------LIION OCTACOSAN MIDRANG 3 -11602.6 -12271.9 2.80350 -------------------------------------------------------------------------------LIION OXYLENE MIDRANG 3 -2256.28 -3144.47 16.4457 -------------------------------------------------------------------------------LIION PENTCOSAN MIDRANG 3 -10766.9 -11397.7 2.84598 -------------------------------------------------------------------------------LIION PENTTRIACT MIDRANG 3 -13552.5 -14311.6 2.72429 -------------------------------------------------------------------------------LIION PHENANTHR MIDRANG 3 -4649.87 -4463.41 2.04602 -------------------------------------------------------------------------------LIION PXYLENE MIDRANG 3 -4421.82 -3493.78 11.7242 -------------------------------------------------------------------------------LIION TBUTEN MIDRANG 3 -4917.14 -5278.45 3.54379 -------------------------------------------------------------------------------LIION TETRTRIACT MIDRANG 3 -13273.9 -14020.2 2.73414 � 1 2 % Dif Page 64-------------------------------------------------------------------------------LIION TOLUENE MIDRANG 3 -4003.12 -3794.30 2.67807 -------------------------------------------------------------------------------LIION TRICONTAN MIDRANG 3 -12159.7 -12854.7 2.77840 -------------------------------------------------------------------------------LIION TRICOSAN MIDRANG

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MSEPUB-Part 1 of 2.txt 3 -10209.8 -10814.9 2.87814 -------------------------------------------------------------------------------LIION TTACONT MIDRANG 3 -12995.4 -13728.8 2.74441 -------------------------------------------------------------------------------LIION TTCOSAN MIDRANG 3 -10488.3 -11106.3 2.86164 -------------------------------------------------------------------------------MGION MXYLENE MIDRANG 3 -4566.61 -4223.81 3.89970 -------------------------------------------------------------------------------MGION NAPHTHALEN MIDRANG 3 -2877.03 -3091.37 3.59125 -------------------------------------------------------------------------------MGION NEOPENTANE MIDRANG 3 -5195.70 -5569.85 3.47544 -------------------------------------------------------------------------------MGION NONACOSAN MIDRANG 3 -11881.1 -12563.3 2.79066 -------------------------------------------------------------------------------MGION OCTACOSAN MIDRANG 3 -11602.6 -12271.9 2.80350 -------------------------------------------------------------------------------MGION OXYLENE MIDRANG 3 -2568.82 -3312.53 12.6452 -------------------------------------------------------------------------------MGION PENTCOSAN MIDRANG 3 -10766.9 -11397.7 2.84598 -------------------------------------------------------------------------------MGION PENTTRIACT MIDRANG 3 -13552.5 -14311.6 2.72429 -------------------------------------------------------------------------------MGION PHENANTHR MIDRANG 3 -4649.87 -4463.41 2.04602 -------------------------------------------------------------------------------MGION PXYLENE MIDRANG 3 -4306.00 -3525.23 9.96995 -------------------------------------------------------------------------------MGION TBUTEN MIDRANG 3 -4917.14 -5278.45 3.54379 -------------------------------------------------------------------------------MGION TETRTRIACT MIDRANG 3 -13273.9 -14020.2 2.73414 � 1 2 % Dif Page 65-------------------------------------------------------------------------------MGION TOLUENE MIDRANG 3 -3217.01 -2841.31 6.20139 -------------------------------------------------------------------------------MGION TRICONTAN MIDRANG 3 -12159.7 -12854.7 2.77840 -------------------------------------------------------------------------------MGION TRICOSAN MIDRANG 3 -10209.8 -10814.9 2.87814 -------------------------------------------------------------------------------MGION TTACONT MIDRANG 3 -12995.4 -13728.8 2.74441 -------------------------------------------------------------------------------MGION TTCOSAN MIDRANG 3 -10488.3 -11106.3 2.86164 -------------------------------------------------------------------------------MXYLENE NAION MIDRANG 3 -4086.80 -4043.59 0.531462 -------------------------------------------------------------------------------

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MSEPUB-Part 1 of 2.txtMXYLENE NH4ION MIDRANG 3 -2763.91 -2559.28 3.84412 -------------------------------------------------------------------------------MXYLENE NO3ION MIDRANG 3 -3159.03 -2744.00 7.03080 -------------------------------------------------------------------------------MXYLENE OHION MIDRANG 3 -4086.80 -4043.59 0.531462 -------------------------------------------------------------------------------MXYLENE SO4ION MIDRANG 3 -10332.3 -10201.4 0.637486 -------------------------------------------------------------------------------NAION NEOPENTANE MIDRANG 3 -5195.70 -5569.85 3.47544 -------------------------------------------------------------------------------NAION NONACOSAN MIDRANG 3 -11881.1 -12563.3 2.79066 -------------------------------------------------------------------------------NAION OCTACOSAN MIDRANG 3 -11602.6 -12271.9 2.80350 -------------------------------------------------------------------------------NAION OXYLENE MIDRANG 3 -3851.18 -3940.40 1.14508 -------------------------------------------------------------------------------NAION PENTCOSAN MIDRANG 3 -10766.9 -11397.7 2.84598 -------------------------------------------------------------------------------NAION PENTTRIACT MIDRANG 3 -13552.5 -14311.6 2.72429 -------------------------------------------------------------------------------NAION PHENANTHR MIDRANG 3 -4649.87 -4463.41 2.04602 � 1 2 % Dif Page 66-------------------------------------------------------------------------------NAION PXYLENE MIDRANG 3 -4116.13 -4025.98 1.10721 -------------------------------------------------------------------------------NAION TBUTEN MIDRANG 3 -4917.14 -5278.45 3.54379 -------------------------------------------------------------------------------NAION TETRTRIACT MIDRANG 3 -13273.9 -14020.2 2.73414 -------------------------------------------------------------------------------NAION TOLUENE MIDRANG 3 -3594.31 -3525.75 0.962914 -------------------------------------------------------------------------------NAION TRICONTAN MIDRANG 3 -12159.7 -12854.7 2.77840 -------------------------------------------------------------------------------NAION TRICOSAN MIDRANG 3 -10209.8 -10814.9 2.87814 -------------------------------------------------------------------------------NAION TTACONT MIDRANG 3 -12995.4 -13728.8 2.74441 -------------------------------------------------------------------------------NAION TTCOSAN MIDRANG 3 -10488.3 -11106.3 2.86164 -------------------------------------------------------------------------------NAPHTHALEN NH4ION MIDRANG 3 -1370.97 -1477.80 3.75004 -------------------------------------------------------------------------------NAPHTHALEN NO3ION MIDRANG 3 -2284.76 -2539.82 5.28668

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MSEPUB-Part 1 of 2.txt-------------------------------------------------------------------------------NAPHTHALEN SO4ION MIDRANG 3 -10715.2 -10746.2 0.144445 -------------------------------------------------------------------------------NEOPENTANE NH4ION MIDRANG 3 -2597.85 -2784.92 3.47534 -------------------------------------------------------------------------------NEOPENTANE NO3ION MIDRANG 3 -2597.85 -2784.92 3.47534 -------------------------------------------------------------------------------NEOPENTANE OHION MIDRANG 3 -5195.70 -5569.85 3.47544 -------------------------------------------------------------------------------NEOPENTANE SO4ION MIDRANG 3 -5195.70 -5569.85 3.47544 -------------------------------------------------------------------------------NH4ION NONACOSAN MIDRANG 3 -5940.57 -6281.64 2.79058 -------------------------------------------------------------------------------NH4ION OCTACOSAN MIDRANG 3 -5801.29 -6135.94 2.80341 � 1 2 % Dif Page 67-------------------------------------------------------------------------------NH4ION OXYLENE MIDRANG 3 -1557.04 -1978.96 11.9321 -------------------------------------------------------------------------------NH4ION PENTCOSAN MIDRANG 3 -5383.45 -5698.85 2.84598 -------------------------------------------------------------------------------NH4ION PENTTRIACT MIDRANG 3 -6776.25 -7155.82 2.72443 -------------------------------------------------------------------------------NH4ION PHENANTHR MIDRANG 3 -1964.51 -1855.76 2.84666 -------------------------------------------------------------------------------NH4ION PXYLENE MIDRANG 3 -2558.48 -2095.06 9.95844 -------------------------------------------------------------------------------NH4ION TBUTEN MIDRANG 3 -2458.57 -2639.23 3.54388 -------------------------------------------------------------------------------NH4ION TETRTRIACT MIDRANG 3 -6636.97 -7010.12 2.73428 -------------------------------------------------------------------------------NH4ION TOLUENE MIDRANG 3 -1181.53 -1104.34 3.37684 -------------------------------------------------------------------------------NH4ION TRICONTAN MIDRANG 3 -6079.85 -6427.34 2.77832 -------------------------------------------------------------------------------NH4ION TRICOSAN MIDRANG 3 -5104.89 -5407.46 2.87823 -------------------------------------------------------------------------------NH4ION TTACONT MIDRANG 3 -6497.69 -6864.42 2.74455 -------------------------------------------------------------------------------NH4ION TTCOSAN MIDRANG 3 -5244.17 -5553.16 2.86173 -------------------------------------------------------------------------------NO3ION NONACOSAN MIDRANG 3 -5940.57 -6281.64 2.79058 -------------------------------------------------------------------------------NO3ION OCTACOSAN MIDRANG

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MSEPUB-Part 1 of 2.txt 3 -5801.29 -6135.94 2.80341 -------------------------------------------------------------------------------NO3ION OXYLENE MIDRANG 3 -1341.96 -2215.91 24.5639 -------------------------------------------------------------------------------NO3ION PENTCOSAN MIDRANG 3 -5383.45 -5698.85 2.84598 -------------------------------------------------------------------------------NO3ION PENTTRIACT MIDRANG 3 -6776.25 -7155.82 2.72443 � 1 2 % Dif Page 68-------------------------------------------------------------------------------NO3ION PHENANTHR MIDRANG 3 -2324.94 -2231.71 2.04602 -------------------------------------------------------------------------------NO3ION PXYLENE MIDRANG 3 -3399.91 -2486.49 15.5175 -------------------------------------------------------------------------------NO3ION TBUTEN MIDRANG 3 -2458.57 -2639.23 3.54388 -------------------------------------------------------------------------------NO3ION TETRTRIACT MIDRANG 3 -6636.97 -7010.12 2.73428 -------------------------------------------------------------------------------NO3ION TOLUENE MIDRANG 3 -2836.30 -2343.96 9.50416 -------------------------------------------------------------------------------NO3ION TRICONTAN MIDRANG 3 -6079.85 -6427.34 2.77832 -------------------------------------------------------------------------------NO3ION TRICOSAN MIDRANG 3 -5104.89 -5407.46 2.87823 -------------------------------------------------------------------------------NO3ION TTACONT MIDRANG 3 -6497.69 -6864.42 2.74455 -------------------------------------------------------------------------------NO3ION TTCOSAN MIDRANG 3 -5244.17 -5553.16 2.86173 -------------------------------------------------------------------------------NONACOSAN OHION MIDRANG 3 -11881.1 -12563.3 2.79066 -------------------------------------------------------------------------------NONACOSAN SO4ION MIDRANG 3 -11881.1 -12563.3 2.79066 -------------------------------------------------------------------------------OCTACOSAN OHION MIDRANG 3 -11602.6 -12271.9 2.80350 -------------------------------------------------------------------------------OCTACOSAN SO4ION MIDRANG 3 -11602.6 -12271.9 2.80350 -------------------------------------------------------------------------------OHION OXYLENE MIDRANG 3 -3851.18 -3940.40 1.14508 -------------------------------------------------------------------------------OHION PENTCOSAN MIDRANG 3 -10766.9 -11397.7 2.84598 -------------------------------------------------------------------------------OHION PENTTRIACT MIDRANG 3 -13552.5 -14311.6 2.72429 -------------------------------------------------------------------------------OHION PHENANTHR MIDRANG 3 -4649.87 -4463.41 2.04602 � 1 2 % Dif Page 69

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MSEPUB-Part 1 of 2.txt-------------------------------------------------------------------------------OHION PXYLENE MIDRANG 3 -4116.13 -4025.98 1.10721 -------------------------------------------------------------------------------OHION TBUTEN MIDRANG 3 -4917.14 -5278.45 3.54379 -------------------------------------------------------------------------------OHION TETRTRIACT MIDRANG 3 -13273.9 -14020.2 2.73414 -------------------------------------------------------------------------------OHION TOLUENE MIDRANG 3 -3594.31 -3525.75 0.962914 -------------------------------------------------------------------------------OHION TRICONTAN MIDRANG 3 -12159.7 -12854.7 2.77840 -------------------------------------------------------------------------------OHION TRICOSAN MIDRANG 3 -10209.8 -10814.9 2.87814 -------------------------------------------------------------------------------OHION TTACONT MIDRANG 3 -12995.4 -13728.8 2.74441 -------------------------------------------------------------------------------OHION TTCOSAN MIDRANG 3 -10488.3 -11106.3 2.86164 -------------------------------------------------------------------------------OXYLENE SO4ION MIDRANG 3 -9539.79 -9820.42 1.44952 -------------------------------------------------------------------------------PENTCOSAN SO4ION MIDRANG 3 -10766.9 -11397.7 2.84598 -------------------------------------------------------------------------------PENTTRIACT SO4ION MIDRANG 3 -13552.5 -14311.6 2.72429 -------------------------------------------------------------------------------PHENANTHR SO4ION MIDRANG 3 -3417.17 -3258.62 2.37500 -------------------------------------------------------------------------------PXYLENE SO4ION MIDRANG 3 -10298.9 -10027.6 1.33471 -------------------------------------------------------------------------------SO4ION TBUTEN MIDRANG 3 -4917.14 -5278.45 3.54379 -------------------------------------------------------------------------------SO4ION TETRTRIACT MIDRANG 3 -13273.9 -14020.2 2.73414 -------------------------------------------------------------------------------SO4ION TOLUENE MIDRANG 3 -10407.8 -10228.8 0.867391 -------------------------------------------------------------------------------SO4ION TRICONTAN MIDRANG 3 -12159.7 -12854.7 2.77840 � 1 2 % Dif Page 70-------------------------------------------------------------------------------SO4ION TRICOSAN MIDRANG 3 -10209.8 -10814.9 2.87814 -------------------------------------------------------------------------------SO4ION TTACONT MIDRANG 3 -12995.4 -13728.8 2.74441 -------------------------------------------------------------------------------SO4ION TTCOSAN MIDRANG 3 -10488.3 -11106.3 2.86164 � Removed Species Interaction Data Page 71

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MSEPUB-Part 1 of 2.txt

C6H14 TOLUENE DENUNIQ� New Species Interaction Data Page 72

CH4 H2O MIDRANGCH4 H2O PR-UNIQC2H6 H2O PR-UNIQC2H4 H2O PR-UNIQC3H8 H2O PR-UNIQC3H6 H2O PR-UNIQBENZENE HSO4ION MIDRANGHSO4ION TOLUENE MIDRANGETBNZ HSO4ION MIDRANGHSO4ION OXYLENE MIDRANGHSO4ION MXYLENE MIDRANGHSO4ION PXYLENE MIDRANGCUMENE HSO4ION MIDRANGHSO4ION NAPHTHALEN MIDRANGHSO4ION PHENANTHR MIDRANGANTHRACEN HSO4ION MIDRANGC2H6 HCO3ION MIDRANGC2H4 HCO3ION MIDRANGC3H8 HCO3ION MIDRANGC3H6 HCO3ION MIDRANGC4H10 HCO3ION MIDRANGHCO3ION ISOBUTANE MIDRANGBUTENE1 HCO3ION MIDRANGHCO3ION ISOBUTENE MIDRANGCBUTEN HCO3ION MIDRANGHCO3ION TBUTEN MIDRANGC5H12 HCO3ION MIDRANGHCO3ION IPENTAN MIDRANGHCO3ION NEOPENTANE MIDRANGC6H14 HCO3ION MIDRANGCYCLOHEXAN HCO3ION MIDRANGBENZENE HCO3ION MIDRANGC7H16 HCO3ION MIDRANGHCO3ION TOLUENE MIDRANGC8H18 HCO3ION MIDRANGETBNZ HCO3ION MIDRANGHCO3ION OXYLENE MIDRANGHCO3ION MXYLENE MIDRANGHCO3ION PXYLENE MIDRANGC9H20 HCO3ION MIDRANGCUMENE HCO3ION MIDRANGC10H22 HCO3ION MIDRANGC11H24 HCO3ION MIDRANGC12H26 HCO3ION MIDRANGC13H28 HCO3ION MIDRANGC14H30 HCO3ION MIDRANGC15H32 HCO3ION MIDRANGC16H34 HCO3ION MIDRANGC17H36 HCO3ION MIDRANGC18H38 HCO3ION MIDRANGC19H40 HCO3ION MIDRANGC20H42 HCO3ION MIDRANGHCO3ION HENEICOSAN MIDRANGDOCOSAN HCO3ION MIDRANGHCO3ION TRICOSAN MIDRANGHCO3ION TTCOSAN MIDRANGHCO3ION PENTCOSAN MIDRANGHCO3ION HXCOSAN MIDRANG

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MSEPUB-Part 1 of 2.txt� New Species Interaction Data Page 73

HCO3ION HPTCOSAN MIDRANGHCO3ION OCTACOSAN MIDRANGHCO3ION NONACOSAN MIDRANGHCO3ION TRICONTAN MIDRANGHCO3ION HENTRIACNT MIDRANGDOCTRIACON HCO3ION MIDRANGHCO3ION TTACONT MIDRANGHCO3ION TETRTRIACT MIDRANGHCO3ION PENTTRIACT MIDRANGHCO3ION HXTACONTAN MIDRANGC10H22S2 H2O UNIQ C12H26S2 H2O UNIQ C14H30S2 H2O UNIQ C4H10S2 H2O UNIQ C6H14S2 H2O UNIQ C8H18S2 H2O UNIQ H2O MEMERCAPTN UNIQ CUINH32ION NH3 MIDRANGH2O H2SUCCNATE UNIQ H2O H2SUCCNATE DENUNIQH2SUCCNATE NAION MIDRANGNAION SUCCNATEION MIDRANGNAION SUCCNATEION DENMID C2H6 C5H12 UNIQ C2H6 C6H14 UNIQ C2H6 C7H16 UNIQ C2H6 C8H18 UNIQ C2H6 C9H20 UNIQ C10H22 C2H6 UNIQ C11H24 C2H6 UNIQ C12H26 C2H6 UNIQ C13H28 C2H6 UNIQ C14H30 C2H6 UNIQ C15H32 C2H6 UNIQ C16H34 C2H6 UNIQ C17H36 C2H6 UNIQ C18H38 C2H6 UNIQ C19H40 C2H6 UNIQ C20H42 C2H6 UNIQ C2H6 HENEICOSAN UNIQ C2H6 DOCOSAN UNIQ C2H6 TRICOSAN UNIQ C2H6 TTCOSAN UNIQ C2H6 PENTCOSAN UNIQ C2H6 HXCOSAN UNIQ C2H6 HPTCOSAN UNIQ C2H6 OCTACOSAN UNIQ C2H6 NONACOSAN UNIQ C2H6 TRICONTAN UNIQ C2H6 HENTRIACNT UNIQ C2H6 DOCTRIACON UNIQ C2H6 TTACONT UNIQ C2H6 TETRTRIACT UNIQ C2H6 PENTTRIACT UNIQ C2H6 HXTACONTAN UNIQ C3H8 C5H12 UNIQ C3H8 C6H14 UNIQ C3H8 C7H16 UNIQ � New Species Interaction Data Page 74

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C3H8 C8H18 UNIQ C3H8 C9H20 UNIQ C10H22 C3H8 UNIQ C11H24 C3H8 UNIQ C12H26 C3H8 UNIQ C13H28 C3H8 UNIQ C14H30 C3H8 UNIQ C15H32 C3H8 UNIQ C16H34 C3H8 UNIQ C17H36 C3H8 UNIQ C18H38 C3H8 UNIQ C19H40 C3H8 UNIQ C20H42 C3H8 UNIQ C3H8 HENEICOSAN UNIQ C3H8 DOCOSAN UNIQ C3H8 TRICOSAN UNIQ C3H8 TTCOSAN UNIQ C3H8 PENTCOSAN UNIQ C3H8 HXCOSAN UNIQ C3H8 HPTCOSAN UNIQ C3H8 OCTACOSAN UNIQ C3H8 NONACOSAN UNIQ C3H8 TRICONTAN UNIQ C3H8 HENTRIACNT UNIQ C3H8 DOCTRIACON UNIQ C3H8 TTACONT UNIQ C3H8 TETRTRIACT UNIQ C3H8 PENTTRIACT UNIQ C3H8 HXTACONTAN UNIQ C4H10 C8H18 UNIQ C4H10 C9H20 UNIQ C10H22 C4H10 UNIQ C11H24 C4H10 UNIQ C12H26 C4H10 UNIQ C13H28 C4H10 UNIQ C14H30 C4H10 UNIQ C15H32 C4H10 UNIQ C16H34 C4H10 UNIQ C17H36 C4H10 UNIQ C18H38 C4H10 UNIQ C19H40 C4H10 UNIQ C20H42 C4H10 UNIQ C4H10 HENEICOSAN UNIQ C4H10 DOCOSAN UNIQ C4H10 TRICOSAN UNIQ C4H10 TTCOSAN UNIQ C4H10 PENTCOSAN UNIQ C4H10 HXCOSAN UNIQ C4H10 HPTCOSAN UNIQ C4H10 OCTACOSAN UNIQ C4H10 NONACOSAN UNIQ C4H10 TRICONTAN UNIQ C4H10 HENTRIACNT UNIQ C4H10 DOCTRIACON UNIQ C4H10 TTACONT UNIQ C4H10 TETRTRIACT UNIQ C4H10 PENTTRIACT UNIQ C4H10 HXTACONTAN UNIQ � New Species Interaction Data Page 75

C5H12 C8H18 UNIQ Page 68

MSEPUB-Part 1 of 2.txtC5H12 C9H20 UNIQ C10H22 C5H12 UNIQ C11H24 C5H12 UNIQ C12H26 C5H12 UNIQ C13H28 C5H12 UNIQ C14H30 C5H12 UNIQ C15H32 C5H12 UNIQ C16H34 C5H12 UNIQ C17H36 C5H12 UNIQ C18H38 C5H12 UNIQ C19H40 C5H12 UNIQ C20H42 C5H12 UNIQ C5H12 HENEICOSAN UNIQ C5H12 DOCOSAN UNIQ C5H12 TRICOSAN UNIQ C5H12 TTCOSAN UNIQ C5H12 PENTCOSAN UNIQ C5H12 HXCOSAN UNIQ C5H12 HPTCOSAN UNIQ C5H12 OCTACOSAN UNIQ C5H12 NONACOSAN UNIQ C5H12 TRICONTAN UNIQ C5H12 HENTRIACNT UNIQ C5H12 DOCTRIACON UNIQ C5H12 TTACONT UNIQ C5H12 TETRTRIACT UNIQ C5H12 PENTTRIACT UNIQ C5H12 HXTACONTAN UNIQ C6H14 C8H18 UNIQ C6H14 C9H20 UNIQ C10H22 C6H14 UNIQ C11H24 C6H14 UNIQ C12H26 C6H14 UNIQ C13H28 C6H14 UNIQ C14H30 C6H14 UNIQ C15H32 C6H14 UNIQ C16H34 C6H14 UNIQ C17H36 C6H14 UNIQ C18H38 C6H14 UNIQ C19H40 C6H14 UNIQ C20H42 C6H14 UNIQ C6H14 HENEICOSAN UNIQ C6H14 DOCOSAN UNIQ C6H14 TRICOSAN UNIQ C6H14 TTCOSAN UNIQ C6H14 PENTCOSAN UNIQ C6H14 HXCOSAN UNIQ C6H14 HPTCOSAN UNIQ C6H14 OCTACOSAN UNIQ C6H14 NONACOSAN UNIQ C6H14 TRICONTAN UNIQ C6H14 HENTRIACNT UNIQ C6H14 DOCTRIACON UNIQ C6H14 TTACONT UNIQ C6H14 TETRTRIACT UNIQ C6H14 PENTTRIACT UNIQ C6H14 HXTACONTAN UNIQ � New Species Interaction Data Page 76

C7H16 C9H20 UNIQ C10H22 C7H16 UNIQ C11H24 C7H16 UNIQ

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MSEPUB-Part 1 of 2.txtC12H26 C7H16 UNIQ C13H28 C7H16 UNIQ C14H30 C7H16 UNIQ C15H32 C7H16 UNIQ C16H34 C7H16 UNIQ C17H36 C7H16 UNIQ C18H38 C7H16 UNIQ C19H40 C7H16 UNIQ C20H42 C7H16 UNIQ C7H16 HENEICOSAN UNIQ C7H16 DOCOSAN UNIQ C7H16 TRICOSAN UNIQ C7H16 TTCOSAN UNIQ C7H16 PENTCOSAN UNIQ C7H16 HXCOSAN UNIQ C7H16 HPTCOSAN UNIQ C7H16 OCTACOSAN UNIQ C7H16 NONACOSAN UNIQ C7H16 TRICONTAN UNIQ C7H16 HENTRIACNT UNIQ C7H16 DOCTRIACON UNIQ C7H16 TTACONT UNIQ C7H16 TETRTRIACT UNIQ C7H16 PENTTRIACT UNIQ C7H16 HXTACONTAN UNIQ C11H24 C8H18 UNIQ C12H26 C8H18 UNIQ C13H28 C8H18 UNIQ C14H30 C8H18 UNIQ C15H32 C8H18 UNIQ C16H34 C8H18 UNIQ C17H36 C8H18 UNIQ C18H38 C8H18 UNIQ C19H40 C8H18 UNIQ C20H42 C8H18 UNIQ C8H18 HENEICOSAN UNIQ C8H18 DOCOSAN UNIQ C8H18 TRICOSAN UNIQ C8H18 TTCOSAN UNIQ C8H18 PENTCOSAN UNIQ C8H18 HXCOSAN UNIQ C8H18 HPTCOSAN UNIQ C8H18 OCTACOSAN UNIQ C8H18 NONACOSAN UNIQ C8H18 TRICONTAN UNIQ C8H18 HENTRIACNT UNIQ C8H18 DOCTRIACON UNIQ C8H18 TTACONT UNIQ C8H18 TETRTRIACT UNIQ C8H18 PENTTRIACT UNIQ C8H18 HXTACONTAN UNIQ C13H28 C9H20 UNIQ C14H30 C9H20 UNIQ C15H32 C9H20 UNIQ C16H34 C9H20 UNIQ � New Species Interaction Data Page 77

C17H36 C9H20 UNIQ C18H38 C9H20 UNIQ C19H40 C9H20 UNIQ C20H42 C9H20 UNIQ C9H20 HENEICOSAN UNIQ

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MSEPUB-Part 1 of 2.txtC9H20 DOCOSAN UNIQ C9H20 TRICOSAN UNIQ C9H20 TTCOSAN UNIQ C9H20 PENTCOSAN UNIQ C9H20 HXCOSAN UNIQ C9H20 HPTCOSAN UNIQ C9H20 OCTACOSAN UNIQ C9H20 NONACOSAN UNIQ C9H20 TRICONTAN UNIQ C9H20 HENTRIACNT UNIQ C9H20 DOCTRIACON UNIQ C9H20 TTACONT UNIQ C9H20 TETRTRIACT UNIQ C9H20 PENTTRIACT UNIQ C9H20 HXTACONTAN UNIQ C10H22 C15H32 UNIQ C10H22 C16H34 UNIQ C10H22 C17H36 UNIQ C10H22 C18H38 UNIQ C10H22 C19H40 UNIQ C10H22 C20H42 UNIQ C10H22 HENEICOSAN UNIQ C10H22 DOCOSAN UNIQ C10H22 TRICOSAN UNIQ C10H22 TTCOSAN UNIQ C10H22 PENTCOSAN UNIQ C10H22 HXCOSAN UNIQ C10H22 HPTCOSAN UNIQ C10H22 OCTACOSAN UNIQ C10H22 NONACOSAN UNIQ C10H22 TRICONTAN UNIQ C10H22 HENTRIACNT UNIQ C10H22 DOCTRIACON UNIQ C10H22 TTACONT UNIQ C10H22 TETRTRIACT UNIQ C10H22 PENTTRIACT UNIQ C10H22 HXTACONTAN UNIQ C11H24 C17H36 UNIQ C11H24 C18H38 UNIQ C11H24 C19H40 UNIQ C11H24 C20H42 UNIQ C11H24 HENEICOSAN UNIQ C11H24 DOCOSAN UNIQ C11H24 TRICOSAN UNIQ C11H24 TTCOSAN UNIQ C11H24 PENTCOSAN UNIQ C11H24 HXCOSAN UNIQ C11H24 HPTCOSAN UNIQ C11H24 OCTACOSAN UNIQ C11H24 NONACOSAN UNIQ C11H24 TRICONTAN UNIQ C11H24 HENTRIACNT UNIQ C11H24 DOCTRIACON UNIQ � New Species Interaction Data Page 78

C11H24 TTACONT UNIQ C11H24 TETRTRIACT UNIQ C11H24 PENTTRIACT UNIQ C11H24 HXTACONTAN UNIQ C2H4 C3H8 UNIQ C2H4 C4H10 UNIQ C2H4 ISOBUTANE UNIQ

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MSEPUB-Part 1 of 2.txtC2H4 C6H14 UNIQ C2H4 C7H16 UNIQ C2H4 C8H18 UNIQ C2H4 C9H20 UNIQ C10H22 C2H4 UNIQ C12H26 C2H4 UNIQ C20H42 C2H4 UNIQ C2H4 HXCOSAN UNIQ C2H4 OCTACOSAN UNIQ C2H4 TRICONTAN UNIQ C2H4 HXTACONTAN UNIQ C2H4 TOLUENE UNIQ C2H4 MXYLENE UNIQ C2H4 ETBNZ UNIQ C2H4 CYCLOHEXAN UNIQ BENZENE C2H4 UNIQ C2H4 C3H6 UNIQ BUTENE1 C2H4 UNIQ C2H4 C5H12 UNIQ C11H24 C2H4 UNIQ C13H28 C2H4 UNIQ C14H30 C2H4 UNIQ C15H32 C2H4 UNIQ C16H34 C2H4 UNIQ C17H36 C2H4 UNIQ C18H38 C2H4 UNIQ C19H40 C2H4 UNIQ C2H4 HENEICOSAN UNIQ C2H4 DOCOSAN UNIQ C2H4 TRICOSAN UNIQ C2H4 TTCOSAN UNIQ C2H4 PENTCOSAN UNIQ C2H4 HPTCOSAN UNIQ C2H4 NONACOSAN UNIQ C2H4 HENTRIACNT UNIQ C2H4 DOCTRIACON UNIQ C2H4 TTACONT UNIQ C2H4 TETRTRIACT UNIQ C2H4 PENTTRIACT UNIQ C2H4 IPENTAN UNIQ C2H4 NEOPENTANE UNIQ C2H4 OXYLENE UNIQ C2H4 PXYLENE UNIQ C2H4 CUMENE UNIQ C2H4 NAPHTHALEN UNIQ ANTHRACEN C2H4 UNIQ C2H4 PHENANTHR UNIQ C3H6 CUMENE UNIQ BENZENE C3H6 UNIQ C3H6 MXYLENE UNIQ C3H6 PXYLENE UNIQ � New Species Interaction Data Page 79

C3H6 TOLUENE UNIQ C3H6 ETBNZ UNIQ C3H6 OXYLENE UNIQ C16H34 C3H6 UNIQ C3H6 C9H20 UNIQ C3H6 C8H18 UNIQ C3H6 C7H16 UNIQ C3H6 C6H14 UNIQ BENZENE C2H6 UNIQ

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MSEPUB-Part 1 of 2.txtC2H6 MXYLENE UNIQ C2H6 TOLUENE UNIQ C2H6 NAPHTHALEN UNIQ C2H6 CYCLOHEXAN UNIQ C2H6 OXYLENE UNIQ C2H6 PXYLENE UNIQ C2H6 ETBNZ UNIQ C2H6 CUMENE UNIQ C3H8 CUMENE UNIQ C3H8 CYCLOHEXAN UNIQ BENZENE C3H8 UNIQ C3H8 TOLUENE UNIQ C3H8 MXYLENE UNIQ C3H8 PXYLENE UNIQ C3H8 OXYLENE UNIQ C3H8 ETBNZ UNIQ BENZENE C5H12 UNIQ C5H12 CYCLOHEXAN UNIQ C5H12 ETBNZ UNIQ C5H12 TOLUENE UNIQ C5H12 CUMENE UNIQ C5H12 MXYLENE UNIQ C5H12 OXYLENE UNIQ C5H12 PXYLENE UNIQ C4H10 PXYLENE UNIQ C4H10 MXYLENE UNIQ C4H10 OXYLENE UNIQ BENZENE C4H10 UNIQ C4H10 TOLUENE UNIQ C4H10 ETBNZ UNIQ C4H10 CUMENE UNIQ C4H10 CYCLOHEXAN UNIQ CYCLOHEXAN ISOBUTANE UNIQ BENZENE ISOBUTANE UNIQ ISOBUTANE TOLUENE UNIQ CUMENE ISOBUTANE UNIQ ISOBUTANE MXYLENE UNIQ ISOBUTANE OXYLENE UNIQ ISOBUTANE PXYLENE UNIQ ETBNZ ISOBUTANE UNIQ ETBNZ IPENTAN UNIQ CUMENE IPENTAN UNIQ IPENTAN TOLUENE UNIQ BENZENE IPENTAN UNIQ IPENTAN MXYLENE UNIQ IPENTAN PXYLENE UNIQ IPENTAN OXYLENE UNIQ CYCLOHEXAN IPENTAN UNIQ CYCLOHEXAN NEOPENTANE UNIQ � New Species Interaction Data Page 80

BENZENE NEOPENTANE UNIQ NEOPENTANE TOLUENE UNIQ ETBNZ NEOPENTANE UNIQ CUMENE NEOPENTANE UNIQ MXYLENE NEOPENTANE UNIQ NEOPENTANE OXYLENE UNIQ NEOPENTANE PXYLENE UNIQ BENZENE C6H14 UNIQ C6H14 ETBNZ UNIQ C6H14 CUMENE UNIQ C6H14 MXYLENE UNIQ

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MSEPUB-Part 1 of 2.txtC6H14 OXYLENE UNIQ C6H14 PXYLENE UNIQ C7H16 PXYLENE UNIQ C7H16 OXYLENE UNIQ C7H16 MXYLENE UNIQ C7H16 CUMENE UNIQ BENZENE C7H16 UNIQ C7H16 TOLUENE UNIQ C7H16 ETBNZ UNIQ C8H18 ETBNZ UNIQ C8H18 CUMENE UNIQ BENZENE C8H18 UNIQ C8H18 TOLUENE UNIQ C8H18 MXYLENE UNIQ C8H18 PXYLENE UNIQ C8H18 OXYLENE UNIQ C9H20 OXYLENE UNIQ C9H20 PXYLENE UNIQ C9H20 MXYLENE UNIQ C9H20 CUMENE UNIQ C9H20 TOLUENE UNIQ C9H20 ETBNZ UNIQ BENZENE C9H20 UNIQ BENZENE C10H22 UNIQ C10H22 TOLUENE UNIQ C10H22 CUMENE UNIQ C10H22 ETBNZ UNIQ C10H22 MXYLENE UNIQ C10H22 OXYLENE UNIQ C10H22 PXYLENE UNIQ C11H24 PXYLENE UNIQ C11H24 OXYLENE UNIQ C11H24 MXYLENE UNIQ C11H24 TOLUENE UNIQ C11H24 CUMENE UNIQ C11H24 ETBNZ UNIQ BENZENE C11H24 UNIQ HCO3ION PHENANTHR MIDRANGANTHRACEN HCO3ION MIDRANGC2H6 CH4 UNIQ C3H8 CH4 UNIQ C4H10 CH4 UNIQ C4H10 CH4 SRK C5H12 CH4 UNIQ C5H12 CH4 SRK C6H14 CH4 UNIQ C6H14 CH4 SRK � New Species Interaction Data Page 81

C7H16 CH4 UNIQ C7H16 CH4 SRK C8H18 CH4 UNIQ C8H18 CH4 SRK C9H20 CH4 UNIQ C9H20 CH4 SRK C10H22 CH4 UNIQ C10H22 CH4 SRK C11H24 CH4 UNIQ C11H24 CH4 SRK C12H26 CH4 UNIQ C12H26 CH4 SRK C13H28 CH4 UNIQ

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MSEPUB-Part 1 of 2.txtC13H28 CH4 SRK C14H30 CH4 UNIQ C14H30 CH4 SRK C15H32 CH4 UNIQ C15H32 CH4 SRK C16H34 CH4 UNIQ C16H34 CH4 SRK C17H36 CH4 UNIQ C17H36 CH4 SRK C18H38 CH4 UNIQ C18H38 CH4 SRK C19H40 CH4 UNIQ C19H40 CH4 SRK C20H42 CH4 UNIQ C20H42 CH4 SRK CH4 HENEICOSAN UNIQ CH4 HENEICOSAN SRK CH4 DOCOSAN UNIQ CH4 DOCOSAN SRK CH4 TRICOSAN UNIQ CH4 TRICOSAN SRK CH4 TTCOSAN UNIQ CH4 TTCOSAN SRK CH4 PENTCOSAN UNIQ CH4 PENTCOSAN SRK CH4 HXCOSAN UNIQ CH4 HXCOSAN SRK CH4 HPTCOSAN UNIQ CH4 HPTCOSAN SRK CH4 OCTACOSAN UNIQ CH4 OCTACOSAN SRK CH4 NONACOSAN UNIQ CH4 NONACOSAN SRK CH4 TRICONTAN UNIQ CH4 TRICONTAN SRK CH4 HENTRIACNT UNIQ CH4 HENTRIACNT SRK CH4 DOCTRIACON UNIQ CH4 DOCTRIACON SRK CH4 TTACONT UNIQ CH4 TTACONT SRK CH4 TETRTRIACT UNIQ CH4 TETRTRIACT SRK CH4 PENTTRIACT UNIQ CH4 PENTTRIACT SRK � New Species Interaction Data Page 82

CH4 HXTACONTAN UNIQ CH4 HXTACONTAN SRK

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