Usual Name CAS Number Chemical Formula METHANE CH4 ETHANE C2H6 PROPANE C3H8 ISOBUTANE C4H10. n-butane C4H10

Transcription

1 Liste des constituants Standard 2017 Components list Usual Name CAS Number Chemical Formula METHANE CH4 ETHANE C2H6 PROPANE C3H8 ISOBUTANE C4H10 n-butane C4H10 n-pentane C5H12 ISOPENTANE C5H12 NEOPENTANE C5H12 n-hexane C6H14 2-METHYLPENTANE C6H14 3-METHYLPENTANE C6H14 2,2-DIMETHYLBUTANE C6H14 2,3-DIMETHYLBUTANE C6H14 n-heptane C7H16 2-METHYLHEXANE C7H16 3-METHYLHEXANE C7H16 3-ETHYLPENTANE C7H16 2,2-DIMETHYLPENTANE C7H16 2,3-DIMETHYLPENTANE C7H16 2,4-DIMETHYLPENTANE C7H16 3,3-DIMETHYLPENTANE C7H16 2,2,3-TRIMETHYLBUTANE C7H ProSim SA, all rights reserved Page 1 sur 89

2 n-octane C8H18 2-METHYLHEPTANE C8H18 3-METHYLHEPTANE C8H18 4-METHYLHEPTANE C8H18 3-ETHYLHEXANE C8H18 2,2-DIMETHYLHEXANE C8H18 2,3-DIMETHYLHEXANE C8H18 2,4-DIMETHYLHEXANE C8H18 2,5-DIMETHYLHEXANE C8H18 3,3-DIMETHYLHEXANE C8H18 3,4-DIMETHYLHEXANE C8H18 2-METHYL-3-ETHYLPENTANE C8H18 3-METHYL-3-ETHYLPENTANE C8H18 2,2,3-TRIMETHYLPENTANE C8H18 2,2,4-TRIMETHYLPENTANE C8H18 2,3,3-TRIMETHYLPENTANE C8H18 2,3,4-TRIMETHYLPENTANE C8H18 2,2,3,3-TETRAMETHYLBUTANE C8H18 n-nonane C9H20 2,2,5-TRIMETHYLHEXANE C9H20 3,3,5-TRIMETHYLHEPTANE C10H22 2,4,4-TRIMETHYLHEXANE C9H20 3,3-DIETHYLPENTANE C9H20 2,2,3,3-TETRAMETHYLPENTANE C9H20 2,2,3,4-TETRAMETHYLPENTANE C9H ProSim SA, all rights reserved Page 2 sur 89

3 2,2,4,4-TETRAMETHYLPENTANE C9H20 2,3,3,4-TETRAMETHYLPENTANE C9H20 SQUALANE C30H62 n-decane C10H22 2,2,3,3-TETRAMETHYLHEXANE C10H22 2,2,5,5-TETRAMETHYLHEXANE C10H22 iso-butylcyclohexane C10H20 tert-butylcyclohexane C10H20 n-undecane C11H24 n-dodecane C12H26 n-tridecane C13H28 n-tetradecane C14H30 n-pentadecane C15H32 n-hexadecane C16H34 n-heptadecane C17H36 n-octadecane C18H38 n-nonadecane C19H40 2,2-DIMETHYLOCTANE C10H22 n-eicosane C20H42 n-heneicosane C21H44 n-docosane C22H46 n-tricosane C23H48 n-tetracosane C24H50 n-pentacosane C25H52 n-hexacosane C26H ProSim SA, all rights reserved Page 3 sur 89

4 n-heptacosane C27H56 n-octacosane C28H58 n-nonacosane C29H60 3-METHYLNONANE C10H22 2-METHYLNONANE C10H22 4-METHYLNONANE C10H22 5-METHYLNONANE C10H22 2,2,4,4,6,8,8-HEPTAMETHYLNONANE C16H34 2-METHYLOCTANE C9H20 3-METHYLOCTANE C9H20 4-METHYLOCTANE C9H20 3-ETHYLHEPTANE C9H20 2,2-DIMETHYLHEPTANE C9H20 3-METHYLUNDECANE C12H26 CYCLOPROPANE C3H6 CYCLOBUTANE C4H8 CYCLOPENTANE C5H10 METHYLCYCLOPENTANE C6H12 ETHYLCYCLOPENTANE C7H14 1,1-DIMETHYLCYCLOPENTANE C7H14 cis-1,2-dimethylcyclopentane C7H14 trans-1,2-dimethylcyclopentane C7H14 cis-1,3-dimethylcyclopentane C7H14 trans-1,3-dimethylcyclopentane C7H14 n-propylcyclopentane C8H ProSim SA, all rights reserved Page 4 sur 89

5 ISOPROPYLCYCLOPENTANE C8H16 1-METHYL-1-ETHYLCYCLOPENTANE C8H16 1-cis-2-trans-3-TRIMETHYLCYCLOPENTANE C8H16 1,1,3-TRIMETHYLCYCLOPENTANE C8H16 1-cis-2-trans-4-TRIMETHYLCYCLOPENTANE C8H16 1,1,2-TRIMETHYLCYCLOPENTANE C8H16 n-butylcyclopentane C9H18 CYCLOHEXANE C6H12 METHYLCYCLOHEXANE C7H14 ETHYLCYCLOHEXANE C8H16 1,1-DIMETHYLCYCLOHEXANE C8H16 cis-1,2-dimethylcyclohexane C8H16 trans-1,2-dimethylcyclohexane C8H16 cis-1,3-dimethylcyclohexane C8H16 trans-1,3-dimethylcyclohexane C8H16 cis-1,4-dimethylcyclohexane C8H16 trans-1,4-dimethylcyclohexane C8H16 1-trans-3,5-TRIMETHYLCYCLOHEXANE C9H18 n-propylcyclohexane C9H18 ISOPROPYLCYCLOHEXANE C9H18 1,2,3,4-TETRAMETHYLCYCLOHEXANE C10H20 n-butylcyclohexane C10H20 cis-decahydronaphthalene C10H18 trans-decahydronaphthalene C10H18 BICYCLOHEXYL C12H ProSim SA, all rights reserved Page 5 sur 89

6 1,1-DIETHYLCYCLOHEXANE C10H20 n-decylcyclohexane C16H32 CYCLOHEPTANE C7H14 CYCLOOCTANE C8H16 trans-1,4-diethylcyclohexane C10H20 2,6-DIMETHYLHEPTANE C9H20 2,2-DIMETHYL-3-ETHYLPENTANE C9H20 2,4-DIMETHYL-3-ETHYLPENTANE C9H20 ETHYLENE C2H4 PROPYLENE C3H6 1-TRIACONTENE C30H60 1-BUTENE C4H8 cis-2-butene C4H8 trans-2-butene C4H8 ISOBUTENE C4H8 trans-2,2,4,6,6-pentamethyl-3-heptene C12H24 1-PENTENE C5H10 cis-2-pentene C5H10 trans-2-pentene C5H10 2-METHYL-1-BUTENE C5H10 3-METHYL-1-BUTENE C5H10 2-METHYL-2-BUTENE C5H10 1-HEXENE C6H12 cis-2-hexene C6H12 trans-2-hexene C6H ProSim SA, all rights reserved Page 6 sur 89

7 cis-3-hexene C6H12 trans-3-hexene C6H12 2-METHYL-1-PENTENE C6H12 3-METHYL-1-PENTENE C6H12 4-METHYL-1-PENTENE C6H12 2-METHYL-2-PENTENE C6H12 3-METHYL-cis-2-PENTENE C6H12 4-METHYL-1-HEXENE C7H14 4-METHYL-cis-2-PENTENE C6H12 4-METHYL-trans-2-PENTENE C6H12 2-ETHYL-1-BUTENE C6H12 2,3-DIMETHYL-1-BUTENE C6H12 3,3-DIMETHYL-1-BUTENE C6H12 2,3-DIMETHYL-2-BUTENE C6H12 2-ETHYL-1-PENTENE C7H14 1-HEPTENE C7H14 cis-2-heptene C7H14 trans-2-heptene C7H14 trans-3-heptene C7H14 2-METHYL-1-HEXENE C7H14 3-ETHYL-1-PENTENE C7H14 3-METHYL-1-HEXENE C7H14 3-ETHYL-1-HEXENE C8H16 4-METHYL-1-HEPTENE C8H16 1-TETRACONTENE C40H ProSim SA, all rights reserved Page 7 sur 89

8 cis-2-nonene C9H18 trans-2-nonene C9H18 2,3,3-TRIMETHYL-1-BUTENE C7H14 cis-3-heptene C7H14 1-OCTENE C8H16 trans-2-octene C8H16 2,4,4-TRIMETHYL-1-PENTENE C8H16 2,4,4-TRIMETHYL-2-PENTENE C8H16 2-ETHYL-1-HEXENE C8H16 1-NONENE C9H18 1-DECENE C10H20 1-UNDECENE C11H22 1-DODECENE C12H24 1-TRIDECENE C13H26 1-TETRADECENE C14H28 1-PENTADECENE C15H30 1-HEXADECENE C16H32 1-OCTADECENE C18H36 6-METHYL-1-HEPTENE C8H16 CYCLOPENTENE C5H8 CYCLOHEXENE C6H10 trans-2-eicosene C20H40 trans-2-pentadecene C15H30 CYCLOHEPTENE C7H12 CYCLOOCTENE C8H ProSim SA, all rights reserved Page 8 sur 89

9 cis-2-octene C8H16 trans-3-octene C8H16 cis-4-octene C8H16 trans-4-octene C8H16 cis-3-octene C8H16 1-HEPTADECENE C17H34 1-NONADECENE C19H38 1-EICOSENE C20H40 VINYLCYCLOHEXENE C8H12 1-METHYLCYCLOPENTENE C6H10 3-METHYLCYCLOPENTENE C6H10 4-METHYLCYCLOPENTENE C6H10 2,3-DIMETHYL-1-HEXENE C8H16 d-limonene C10H16 TERPINOLENE C10H16 PROPENYL CYCLOHEXENE C9H14 1-DOCOSENE C22H44 1-TETRACOSENE C24H48 1-HEXACOSENE C26H52 1-OCTACOSENE C28H56 PROPADIENE C3H4 1,2-BUTADIENE C4H6 1,3-BUTADIENE C4H6 1,2-PENTADIENE C5H8 cis-1,3-pentadiene C5H ProSim SA, all rights reserved Page 9 sur 89

10 trans-1,3-pentadiene C5H8 1,4-PENTADIENE C5H8 2,3-PENTADIENE C5H8 ISOPRENE C5H8 1,5-HEXADIENE C6H10 3-METHYL-1,2-BUTADIENE C5H8 METHYLCYCLOPENTADIENE C6H8 1,4-HEXADIENE C6H10 trans,trans-2,4-hexadiene C6H10 CYCLOPENTADIENE C5H6 DICYCLOPENTADIENE C10H12 alpha-phellandrene C10H16 beta-phellandrene C10H16 2,3-DIMETHYL-1,3-BUTADIENE C6H10 cis,trans-2,4-hexadiene C6H10 3-METHYL-1,4-PENTADIENE C6H10 1,5,9-CYCLODODECATRIENE C12H18 2,5-DIMETHYL-1,5-HEXADIENE C8H14 2,5-DIMETHYL-2,4-HEXADIENE C8H14 1,3-CYCLOHEXADIENE C6H8 1,4-CYCLOHEXADIENE C6H8 1,5-CYCLOOCTADIENE C8H12 trans-1,3-hexadiene C6H10 trans-2-methyl-1,3-pentadiene C6H10 1,9-DECADIENE C10H ProSim SA, all rights reserved Page 10 sur 89

11 1,3,5,7-CYCLOOCTATETRAENE C8H8 ACETYLENE C2H2 METHYLACETYLENE C3H4 ETHYLACETYLENE C4H6 DIMETHYLACETYLENE C4H6 1-PENTYNE C5H8 3-HEXYNE C6H10 2-HEXYNE C6H10 2-PENTYNE C5H8 1-HEXYNE C6H10 2-METHYL-1-BUTENE-3-YNE C5H6 1-OCTYNE C8H14 VINYLACETYLENE C4H4 3-METHYL-1-BUTYNE C5H8 1-PENTENE-3-YNE C5H6 1-PENTENE-4-YNE C5H6 DIPHENYLACETYLENE C14H10 1-NONYNE C9H16 1-DECYNE C10H18 BENZENE C6H6 TOLUENE C7H8 ETHYLBENZENE C8H10 o-xylene C8H10 m-xylene C8H10 p-xylene C8H ProSim SA, all rights reserved Page 11 sur 89

12 n-propylbenzene C9H12 CUMENE C9H12 o-ethyltoluene C9H12 m-ethyltoluene C9H12 p-ethyltoluene C9H12 1,2,3-TRIMETHYLBENZENE C9H12 1,2,4-TRIMETHYLBENZENE C9H12 MESITYLENE C9H12 n-butylbenzene C10H14 ISOBUTYLBENZENE C10H14 sec-butylbenzene C10H14 tert-butylbenzene C10H14 o-cymene C10H14 m-cymene C10H14 p-cymene C10H14 o-diethylbenzene C10H14 m-diethylbenzene C10H14 p-diethylbenzene C10H14 1,2,3,4-TETRAMETHYLBENZENE C10H14 1,2,3,5-TETRAMETHYLBENZENE C10H14 1,2,4,5-TETRAMETHYLBENZENE C10H14 p-tert-butyl ETHYLBENZENE C12H18 1,4-DI-tert-BUTYLBENZENE C14H22 alpha-tocopherol C29H50O2 1,3,5-TRI-tert-BUTYLBENZENE C18H ProSim SA, all rights reserved Page 12 sur 89

13 1,3,5-TRIISOPROPYLBENZENE C15H24 PENTAMETHYLBENZENE C11H16 1,2,4,5-TETRAISOPROPYLBENZENE C18H30 m-diisopropylbenzene C12H18 p-diisopropylbenzene C12H18 1,2,4-TRIETHYLBENZENE C12H18 HEXAMETHYLBENZENE C12H18 1,2,3-TRIETHYLBENZENE C12H18 n-heptylbenzene C13H20 1,2,3,5-TETRAETHYLBENZENE C14H22 n-decylbenzene C16H26 PENTAETHYLBENZENE C16H26 HEXAETHYLBENZENE C18H30 CYCLOHEXYLBENZENE C12H16 BIPHENYL C12H10 p-terphenyl C18H14 m-terphenyl C18H14 o-terphenyl C18H14 1,1-DIPHENYLETHANE C14H14 DIPHENYLMETHANE C13H12 1,2-DIPHENYLETHANE C14H14 TRIPHENYLMETHANE C19H16 2,4-DIPHENYL-4-METHYLPENTENE C18H20 n-pentylbenzene C11H16 n-hexylbenzene C12H ProSim SA, all rights reserved Page 13 sur 89

14 n-octylbenzene C14H22 n-nonylbenzene C15H24 n-undecylbenzene C17H28 n-tridecylbenzene C19H32 n-tetradecylbenzene C20H34 n-dodecylbenzene C18H30 5-ETHYL-m-XYLENE C10H14 2-ETHYL-m-XYLENE C10H14 2-ETHYL-p-XYLENE C10H14 4-ETHYL-m-XYLENE C10H14 4-ETHYL-o-XYLENE C10H14 3-ETHYL-o-XYLENE C10H14 2,3-DIMETHYL-2,3-DIPHENYLBUTANE C18H22 2-PHENYLBUTENE C10H12 cis-2-phenylbutene C10H12 trans-2-phenylbutene C10H12 1-METHYL-2-n-PROPYLBENZENE C10H14 1-METHYL-3-n-PROPYLBENZENE C10H14 1-METHYL-4-n-PROPYLBENZENE C10H14 1,1,2-TRIPHENYLETHANE C20H18 TETRAPHENYLMETHANE C25H20 1,1,2,2-TETRAPHENYLETHANE C26H22 1-(4-ETHYLPHENYL)-2-PHENYLETHANE C16H18 1,2-DIMETHYL-3-PROPYLBENZENE C11H16 1,2,3-TRIMETHYL-4-ETHYLBENZENE C11H ProSim SA, all rights reserved Page 14 sur 89

15 1,2,4-TRIMETHYL-3-ETHYLBENZENE C11H16 1,2,4-TRIMETHYL-5-ETHYLBENZENE C11H16 1-(4-ETHYLPHENYL)-2-(4-ETHYLPHENYL)ETHANE C18H22 2,2-DIPHENYL PROPANE C15H16 STYRENE C8H8 o-methylstyrene C9H10 m-methylstyrene C9H10 5-o-TOLYL-2-PENTENE C12H16 o-ethylstyrene C10H12 m-ethylstyrene C10H12 p-ethylstyrene C10H12 p-methylstyrene C9H10 alpha-methylstyrene C9H10 m-divinylbenzene C10H10 ETHYNYLBENZENE C8H6 4-ISOBUTYLSTYRENE C12H16 p-divinylbenzene C10H10 cis-1-propenylbenzene C9H10 trans-1-propenylbenzene C9H10 p-isopropenylstyrene C11H12 p-tert-butylstyrene C12H16 NAPHTHALENE C10H8 1-METHYLNAPHTHALENE C11H10 2-METHYLNAPHTHALENE C11H10 1-ETHYLNAPHTHALENE C12H ProSim SA, all rights reserved Page 15 sur 89

16 1,2,3,4-TETRAHYDRONAPHTHALENE C10H12 2,6-DIMETHYLNAPHTHALENE C12H12 1-PHENYLNAPHTHALENE C16H12 1-n-NONYLNAPHTHALENE C19H26 1-n-DECYLNAPHTHALENE C20H28 1-n-BUTYLNAPHTHALENE C14H16 1-n-HEXYLNAPHTHALENE C16H20 2,7-DIMETHYLNAPHTHALENE C12H12 1-n-HEXYL-1,2,3,4-TETRAHYDRONAPHTHALENE C16H24 FLUORANTHENE C16H10 1-n-PROPYLNAPHTHALENE C13H14 2-ETHYLNAPHTHALENE C12H12 1-METHYLINDENE C10H10 2-METHYLINDENE C10H10 1,2,3-TRIMETHYLINDENE C12H14 METHYLCYCLOPENTADIENE DIMER C12H16 1-PHENYLINDENE C15H12 TRIPHENYLETHYLENE C20H16 TETRAPHENYLETHYLENE C26H20 cis-stilbene C14H12 trans-stilbene C14H12 trans-3,5-dimethoxystilbene C16H16O2 FLUORENE C13H10 INDENE C9H8 ANTHRACENE C14H ProSim SA, all rights reserved Page 16 sur 89

17 PHENANTHRENE C14H10 CHRYSENE C18H12 PYRENE C16H10 ACENAPHTHENE C12H10 ACENAPHTHALENE C12H8 ADAMANTANE C10H16 VINYLNORBORNENE C9H12 DIAMANTANE C14H20 1,3-DIMETHYLADAMANTANE C12H20 4-METHYLPHENANTHRENE C15H12 METHYLNORBORNENE C8H12 ETHYLNORBORNENE C9H14 INDANE C9H10 alpha-terpinene C10H16 gamma-terpinene C10H16 2-NORBORNENE C7H10 5-ETHYLIDENE-2-NORBORNENE C9H12 BENZANTHRACENE C18H12 NAPHTHACENE C18H12 sec-butylcyclohexane C10H20 PIMARIC ACID C20H30O2 ISOPIMARIC ACID C20H30O2 BICYCLO[2.2.1]HEPTANE C7H12 BICYCLO[2.2.2]OCTANE C8H14 TRIAMANTANE C18H ProSim SA, all rights reserved Page 17 sur 89

18 TETRAMANTANE C22H28 1-METHYLTETRALIN C11H14 1-ETHYLTETRALIN C12H16 CAMPHENE C10H16 alpha-pinene C10H16 beta-pinene C10H16 NITROUS OXIDE N2O NITROGEN DIOXIDE NO2 OXYGEN O2 HYDROGEN H2 NITROGEN TRIOXIDE N2O3 NITROGEN N2 NITROGEN TETROXIDE N2O4 CARBON MONOXIDE CO CARBON DIOXIDE CO2 SULFUR DIOXIDE O2S SULFUR TRIOXIDE O3S NITRIC OXIDE NO HELIUM He ARGON Ar AIR FLUORINE F2 CHLORINE Cl2 NEON Ne KRYPTON Kr 2017 ProSim SA, all rights reserved Page 18 sur 89

19 BROMINE Br2 HELIUM He OZONE O3 DEUTERIUM D2 ARSINE H3As XENON Xe FORMALDEHYDE CH2O ACETALDEHYDE C2H4O PROPANAL C3H6O 1,2,3,6-TETRAHYDROBENZALDEHYDE C7H10O BUTANAL C4H8O 2-METHYLPROPANAL C4H8O PENTANAL C5H10O HEPTANAL C7H14O HEXANAL C6H12O OCTANAL C8H16O NONANAL C9H18O CYCLOHEXANECARBOXALDEHYDE C7H12O 2-ETHYLHEXANAL C8H16O GLYOXAL C2H2O2 2-METHYLHEXANAL C7H14O 3-METHYLHEXANAL C7H14O 2-METHYL-2-PENTENAL C6H10O 2-ETHYL-2-HEXENAL C8H14O DECANAL C10H20O 2017 ProSim SA, all rights reserved Page 19 sur 89

20 UNDECANAL C11H22O DODECANAL C12H24O TRIDECANAL C13H26O 2-METHYLBUTYRALDEHYDE C5H10O 3-METHYLBUTYRALDEHYDE C5H10O GLYCOL ALDEHYDE C2H4O2 ACROLEIN C3H4O cis-crotonaldehyde C4H6O trans-crotonaldehyde C4H6O METHACROLEIN C4H6O 2-PHENYLPROPIONALDEHYDE C9H10O o-tolualdehyde C8H8O p-tolualdehyde C8H8O BENZALDEHYDE C7H6O SALICYLALDEHYDE C7H6O2 p-hydroxybenzaldehyde C7H6O2 TEREPHTHALDEHYDE C8H6O2 m-tolualdehyde C8H8O 2-METHYL OCTANAL C9H18O 2-METHYLHEPTANAL C8H16O PARALDEHYDE C6H12O3 ACETONE C3H6O METHYL ETHYL KETONE C4H8O 3-PENTANONE C5H10O METHYL ISOBUTYL KETONE C6H12O 2017 ProSim SA, all rights reserved Page 20 sur 89

21 3-METHYL-2-PENTANONE C6H12O 5-HEXEN-2-ONE C6H10O 3-HEPTANONE C7H14O 4-HEPTANONE C7H14O 3-HEXANONE C6H12O 2-PENTANONE C5H10O METHYL ISOPROPYL KETONE C5H10O 2-HEXANONE C6H12O 2-HEPTANONE C7H14O 5-METHYL-2-HEXANONE C7H14O MESITYL OXIDE C6H10O 3,3-DIMETHYL-2-BUTANONE C6H12O DIISOBUTYL KETONE C9H18O DIISOPROPYL KETONE C7H14O 2-PYRROLIDONE C4H7NO N-METHYL-2-PYRROLIDONE C5H9NO ETHYL ISOAMYL KETONE C8H16O 5-NONANONE C9H18O 2-NONANONE C9H18O ANTHRAQUINONE C14H8O2 ACETYLACETONE C5H8O2 ISOPHORONE C9H14O CYCLOPENTANONE C5H8O CYCLOHEXANONE C6H10O 2-OCTANONE C8H16O 2017 ProSim SA, all rights reserved Page 21 sur 89

22 BENZOPHENONE C13H10O ACETOPHENONE C8H8O beta-propiolactone C3H4O2 gamma-butyrolactone C4H6O2 epsilon-caprolactone C6H10O2 gamma-valerolactone C5H8O2 ETHYL ISOPROPYL KETONE C6H12O METHYL ISOPROPENYL KETONE C5H8O 2-CYCLOHEXYL CYCLOHEXANONE C12H20O QUINONE C6H4O2 DIKETENE C4H4O2 KETENE C2H2O METHANOL CH4O ETHANOL C2H6O 1-PROPANOL C3H8O ISOPROPANOL C3H8O 1-BUTANOL C4H10O 2-METHYL-1-PROPANOL C4H10O 2-BUTANOL C4H10O 2-METHYL-2-PROPANOL C4H10O 1-PENTANOL C5H12O 2-PENTANOL C5H12O 2-METHYL-2-BUTANOL C5H12O 2-METHYL-1-BUTANOL C5H12O 2,2-DIMETHYL-1-PROPANOL C5H12O 2017 ProSim SA, all rights reserved Page 22 sur 89

23 1-HEXANOL C6H14O 2-HEXANOL C6H14O 3-HEXANOL C6H14O 2-METHYL-1-PENTANOL C6H14O 3-METHYL-1-PENTANOL C6H14O 3-METHYL-3-PENTANOL C6H14O 3-PENTANOL C5H12O 2-ETHYL-1-HEXANOL C8H18O 2-METHYL-1-HEXANOL C7H16O 3-METHYL-1-BUTANOL C5H12O 3-METHYL-2-BUTANOL C5H12O 1-HEPTANOL C7H16O 2-HEPTANOL C7H16O 3-HEPTANOL C7H16O 5-METHYL-1-HEXANOL C7H16O 4-METHYL-2-PENTANOL C6H14O o,p-bisphenol A C15H16O2 1-OCTANOL C8H18O 2-OCTANOL C8H18O 1-NONANOL C9H20O 2-NONANOL C9H20O 1-DECANOL C10H22O 1-UNDECANOL C11H24O 8-METHYL-1-NONANOL C10H22O 1-DODECANOL C12H26O 2017 ProSim SA, all rights reserved Page 23 sur 89

24 1-TRIDECANOL C13H28O 1-TETRADECANOL C14H30O 1-PENTADECANOL C15H32O 1-HEXADECANOL C16H34O 1-HEPTADECANOL C17H36O 1-OCTADECANOL C18H38O 2-ETHYL-1-BUTANOL C6H14O 1-EICOSANOL C20H42O 1-NONADECANOL C19H40O CYCLOHEXANOL C6H12O 1-METHYLCYCLOHEXANOL C7H14O cis-2-methylcyclohexanol C7H14O trans-2-methylcyclohexanol C7H14O cis-3-methylcyclohexanol C7H14O trans-3-methylcyclohexanol C7H14O cis-4-methylcyclohexanol C7H14O trans-4-methylcyclohexanol C7H14O L-MENTHOL C10H20O SITOSTEROL C29H50O AGATHADIOL C20H34O2 alpha-terpineol C10H18O beta-terpineol C10H18O 2-BUTYL-NONAN-1-OL C13H28O 2-METHYL-1-UNDECANOL C12H26O TETRAHYDROFURFURYL ALCOHOL C5H10O ProSim SA, all rights reserved Page 24 sur 89

25 ALLYL ALCOHOL C3H6O 2-PHENYL-2-PROPANOL C9H12O 2-BUTYL-OCTAN-1-OL C12H26O 2,3-XYLENOL C8H10O p-isopropenyl PHENOL C9H10O 2,4-XYLENOL C8H10O 4-METHYL-CYCLOHEXANE-METHANOL C8H16O 2,5-XYLENOL C8H10O 2,6-XYLENOL C8H10O 3,4-XYLENOL C8H10O 3,5-XYLENOL C8H10O PROPARGYL ALCOHOL C3H4O BENZYL ALCOHOL C7H8O PHENOL C6H6O o-cresol C7H8O m-cresol C7H8O p-cresol C7H8O o-ethylphenol C8H10O p-hydroquinone C6H6O2 p-ethylphenol C8H10O p-tert-butylphenol C10H14O BISPHENOL A C15H16O2 NONYLPHENOL C15H24O ETHYLENE GLYCOL C2H6O2 DIETHYLENE GLYCOL C4H10O ProSim SA, all rights reserved Page 25 sur 89

26 TRIETHYLENE GLYCOL C6H14O4 TETRAETHYLENE GLYCOL C8H18O5 1,2-PROPYLENE GLYCOL C3H8O2 1,3-PROPYLENE GLYCOL C3H8O2 DIPROPYLENE GLYCOL C6H14O3 NEOPENTYL GLYCOL C5H12O2 2-BUTYNE-1,4-DIOL C4H6O2 TRIPROPYLENE GLYCOL C9H20O4 2-BUTYL-2-ETHYL-1,3-PROPANEDIOL C9H20O2 2-METHYL-1,3-PROPANEDIOL C4H10O2 1,2-BUTANEDIOL C4H10O2 1,3-BUTANEDIOL C4H10O2 HEXYLENE GLYCOL C6H14O2 GLYCEROL C3H8O3 1,2,3-BUTANETRIOL C4H10O3 1,2,4-BUTANETRIOL C4H10O3 MONO-TERT-BUTYLHYDROQUINONE C10H14O2 p-tert-butylcatechol C10H14O2 2,2,4-TRIMETHYL-1,3-PENTANEDIOL C8H18O2 2-METHYL-1,3-PENTANEDIOL C6H14O2 2,3-BUTANEDIOL C4H10O2 cis-2-butene-1,4-diol C4H8O2 trans-2-butene-1,4-diol C4H8O2 1,4-BUTANEDIOL C4H10O2 1,5-PENTANEDIOL C5H12O ProSim SA, all rights reserved Page 26 sur 89

27 1,6-HEXANEDIOL C6H14O2 1,2-BENZENEDIOL C6H6O2 1,3-BENZENEDIOL C6H6O2 PENTAERYTHRITOL C5H12O4 TRIMETHYLOLPROPANE C6H14O3 1,2,3-BENZENETRIOL C6H6O3 INOSITOL C6H12O6 SORBITOL C6H14O6 FORMIC ACID CH2O2 ACETIC ACID C2H4O2 PROPIONIC ACID C3H6O2 n-decanoic ACID C10H20O2 OXALIC ACID C2H2O4 n-butyric ACID C4H8O2 2-METHYLBUTYRIC ACID C5H10O2 n-pentanoic ACID C5H10O2 n-nonanoic ACID C9H18O2 ISOBUTYRIC ACID C4H8O2 ISOVALERIC ACID C5H10O2 n-hexanoic ACID C6H12O2 2-METHYLHEXANOIC ACID C7H14O2 1,4-CYCLOHEXANEDICARBOXYLIC ACID C8H12O4 n-octanoic ACID C8H16O2 n-undecanoic ACID C11H22O2 CYCLOPENTYLACETIC ACID C7H12O ProSim SA, all rights reserved Page 27 sur 89

28 DILACTIC ACID C6H10O5 n-dodecanoic ACID C12H24O2 n-tridecanoic ACID C13H26O2 n-tetradecanoic ACID C14H28O2 n-hexadecanoic ACID C16H32O2 cis-crotonic ACID C4H6O2 trans-crotonic ACID C4H6O2 2-METHYLOCTANOIC ACID C9H18O2 n-octadecanoic ACID C18H36O2 ACRYLIC ACID C3H4O2 METHACRYLIC ACID C4H6O2 OLEIC ACID C18H34O2 LINOLEIC ACID C18H32O2 BENZOIC ACID C7H6O2 o-toluic ACID C8H8O2 p-toluic ACID C8H8O2 SALICYLIC ACID C7H6O3 ADIPIC ACID C6H10O4 MALEIC ACID C4H4O4 PHTHALIC ACID C8H6O4 ISOPHTHALIC ACID C8H6O4 TEREPHTHALIC ACID C8H6O4 PERACETIC ACID C2H4O3 ACETIC ANHYDRIDE C4H6O3 PROPIONIC ANHYDRIDE C6H10O ProSim SA, all rights reserved Page 28 sur 89

29 BUTYRIC ANHYDRIDE C8H14O3 PALUSTRIC ACID C20H30O2 SUCCINIC ANHYDRIDE C4H4O3 GLUTARIC ANHYDRIDE C5H6O3 PHTHALIC ANHYDRIDE C8H4O3 MALEIC ANHYDRIDE C4H2O3 TRIMELLITIC ANHYDRIDE C9H4O5 METHYL FORMATE C2H4O2 ETHYL FORMATE C3H6O2 n-propyl FORMATE C4H8O2 n-butyl FORMATE C5H10O2 ISOBUTYL FORMATE C5H10O2 n-pentyl FORMATE C6H12O2 n-octyl FORMATE C9H18O2 n-nonyl FORMATE C10H20O2 n-decyl FORMATE C11H22O2 VINYL FORMATE C3H4O2 METHYL ACETATE C3H6O2 ETHYL ACETATE C4H8O2 n-propyl ACETATE C5H10O2 n-butyl ACETATE C6H12O2 ISOBUTYL ACETATE C6H12O2 ISOPENTYL ACETATE C7H14O2 ALLYL ACETATE C5H8O2 ISOPROPYL ACETATE C5H10O ProSim SA, all rights reserved Page 29 sur 89

30 sec-butyl ACETATE C6H12O2 VINYL ACETATE C4H6O2 METHYL PROPIONATE C4H8O2 ETHYL PROPIONATE C5H10O2 n-propyl PROPIONATE C6H12O2 n-butyl PROPIONATE C7H14O2 n-propyl n-butyrate C7H14O2 VINYL PROPIONATE C5H8O2 METHYL n-butyrate C5H10O2 ETHYL n-butyrate C6H12O2 n-propyl ISOBUTYRATE C7H14O2 TRIOCTYL TRIMELLITATE C33H54O6 METHYL ACRYLATE C4H6O2 ETHYL ACRYLATE C5H8O2 n-propyl ACRYLATE C6H10O2 n-butyl ACRYLATE C7H12O2 n-butyl NONANOATE C13H26O2 n-butyl VALERATE C9H18O2 ETHYL ISOVALERATE C7H14O2 METHYL METHACRYLATE C5H8O2 ETHYL METHACRYLATE C6H10O2 n-propyl METHACRYLATE C7H12O2 DIOCTYL PHTHALATE C24H38O4 DIISOOCTYL PHTHALATE C24H38O4 1,2-BENZENEDICARBOXYLIC ACID, HEPTYL, NONYL ESTER C24H38O ProSim SA, all rights reserved Page 30 sur 89

31 n-pentyl ACETATE C7H14O2 2-ETHYLHEXYL ACETATE C10H20O2 BENZYL ACETATE C9H10O2 ISOBUTYL ISOBUTYRATE C8H16O2 ISOPENTYL ISOVALERATE C10H20O2 METHYL OLEATE C19H36O2 n-hexyl ACETATE C8H16O2 BENZYL BENZOATE C14H12O2 n-butyl BENZOATE C11H14O2 ETHYLENE CARBONATE C3H4O3 n-heptyl ACETATE C9H18O2 n-octyl ACETATE C10H20O2 n-nonyl ACETATE C11H22O2 n-decyl ACETATE C12H24O2 DIISODECYL PHTHALATE C28H46O4 DI-n-HEPTYL PHTHALATE C22H34O4 METHYL SALICYLATE C8H8O3 DI-n-NONYL PHTHALATE C26H42O4 DI-n-PROPYL PHTHALATE C14H18O4 DIISOBUTYL PHTHALATE C16H22O4 DIMETHYL ISOPHTHALATE C10H10O4 DI-n-DECYL PHTHALATE C28H46O4 DI-n-UNDECYL PHTHALATE C30H50O4 DI-n-HEXYL PHTHALATE C20H30O4 DIMETHYL TEREPHTHALATE C10H10O ProSim SA, all rights reserved Page 31 sur 89

32 DI-n-OCTYL TEREPHTHALATE C24H38O4 n-butyl STEARATE C22H44O2 DIBUTYL SEBACATE C18H34O4 n-butyl n-butyrate C8H16O2 2-ETHYLHEXYL ACRYLATE C11H20O2 ETHYLENE GLYCOL DIACETATE C6H10O4 ISOBUTYL METHACRYLATE C8H14O2 n-butyl METHACRYLATE C8H14O2 METHYL BENZOATE C8H8O2 ETHYL BENZOATE C9H10O2 DIETHYL CARBONATE C5H10O3 DIETHYL OXALATE C6H10O4 DIETHYL MALONATE C7H12O4 METHYL DECANOATE C11H22O2 ISOPROPYL MYRISTATE C17H34O2 DIMETHYL-1,4-CYCLOHEXANEDICARBOXYLATE C10H16O4 TRI-n-HEPTYL TRIMELLITATE C30H48O6 1,2-BENZENE DICARBOXYLIC ACID, HEPTYL, UNDECYL ESTER C26H42O4 DIMETHYL ETHER C2H6O DIETHYL ETHER C4H10O DIISOPROPYL ETHER C6H14O DI-n-BUTYL ETHER C8H18O METHYL tert-butyl ETHER C5H12O DI-sec-BUTYL ETHER C8H18O METHYL ETHYL ETHER C3H8O 2017 ProSim SA, all rights reserved Page 32 sur 89

33 METHYL n-propyl ETHER C4H10O ISOPROPYL BUTYL ETHER C7H16O METHYL ISOBUTYL ETHER C5H12O METHYL ISOPROPYL ETHER C4H10O DI-n-HEXYL ETHER C12H26O METHYL n-butyl ETHER C5H12O DIVINYL ETHER C4H6O ETHYL PROPYL ETHER C5H12O DINONYL ETHER C18H38O PHTHALAN C8H8O ANETHOLE C10H12O 1,4-DIOXANE C4H8O2 TRIOXANE C3H6O3 DI-tert-BUTYL ETHER C8H18O DI-n-OCTYL ETHER C16H34O DI-n-PENTYL ETHER C10H22O METHYL sec-butyl ETHER C5H12O METHYL tert-pentyl ETHER C6H14O tert-butyl ETHYL ETHER C6H14O METHYL n-pentyl ETHER C6H14O ETHYL tert-pentyl ETHER C7H16O METHYLAL C3H8O2 ACETAL C6H14O2 ISOPROPYL ISOBUTYL ETHER C7H16O ETHYL ISOBUTYL ETHER C6H14O 2017 ProSim SA, all rights reserved Page 33 sur 89

34 1,2-EPOXY-3-PHENOXYPROPANE C9H10O2 TRIETHYL ORTHOFORMATE C7H16O3 METHYL HYDROPEROXIDE CH4O2 ETHYL HYDROPEROXIDE C2H6O2 3,5-DIMETHYLBENZOFURAN C10H10O 1,2-EPOXY-2-METHYLPROPANE C4H8O ETHYLENE OXIDE C2H4O 1,2-PROPYLENE OXIDE C3H6O 1,3-PROPYLENE OXIDE C3H6O ETHYL VINYL ETHER C4H8O DI-n-PROPYL ETHER C6H14O BUTYL VINYL ETHER C6H12O n-butyl ETHYL ETHER C6H14O BIS(alpha-METHYLBENZYL) ETHER C16H18O n-propylbenzene HYDROPEROXIDE C9H12O2 n-butylbenzene HYDROPEROXIDE C10H14O2 TETRAHYDROPYRAN C5H10O TRIETHYLENE GLYCOL DIMETHYL ETHER C8H18O4 1,2-DIMETHOXYETHANE C4H10O2 DIETHYLENE GLYCOL DIMETHYL ETHER C6H14O3 TETRAETHYLENE GLYCOL DIMETHYL ETHER C10H22O5 DIETHYLENE GLYCOL DIETHYL ETHER C8H18O3 DIETHYLENE GLYCOL DI-n-BUTYL ETHER C12H26O3 BENZYL ETHYL ETHER C9H12O ANISOLE C7H8O 2017 ProSim SA, all rights reserved Page 34 sur 89

35 PHENETOLE C8H10O DIBENZYL ETHER C14H14O ALLYL GLYCIDYL ETHER C6H10O2 DIPHENYL ETHER C12H10O 1-METHYL-3-(METHYLETHOXY)BENZENE C10H14O 2,3,4,5,2',3',4',5'-OCTAHYDRO-BIFURYL-(3,3') C8H14O2 1,1-DIMETHOXYETHANE C4H10O2 PENTAETHYLENE GLYCOL DIMETHYL ETHER C12H26O6 METHYL VINYL ETHER C3H6O 1,2-EPOXYBUTANE C4H8O CUMENE HYDROPEROXIDE C9H12O2 t-butyl HYDROPEROXIDE C4H10O2 CYCLOHEXYL HYDROPEROXIDE C6H12O2 DICUMYL PEROXIDE C18H22O2 p-menthane HYDROPEROXIDE C10H20O2 2,5-DIHYDROFURAN C4H6O FURAN C4H4O TETRAHYDROFURAN C4H8O DIBENZOFURAN C12H8O BENZOYL PEROXIDE C14H10O4 DI-t-BUTYL PEROXIDE C8H18O2 n-butylhydroperoxide C4H10O2 m-diisopropylbenzene HYDROPEROXIDE C12H18O2 2-METHYLBENZOFURAN C9H8O p-diisopropylbenzene HYDROPEROXIDE C12H18O ProSim SA, all rights reserved Page 35 sur 89

36 ALLYL-TERT-BUTYLPEROXIDE C7H14O2 1-tert-BUTOXY-2-[2-(tert- BUTOXY)PROPOXY]PROPANE C14H30O3 1,2-DIMETHOXYPROPANE C5H12O2 sec-butyl-tert-butyl ETHER C8H18O ISOBUTYL-tert-BUTYL ETHER C8H18O 2-METHYL-1,3-DIOXOLANE C4H8O2 CARBON TETRACHLORIDE CCl4 METHYL CHLORIDE CH3Cl ETHYL CHLORIDE C2H5Cl VINYL CHLORIDE C2H3Cl 1,4-DICHLORO-trans-2-BUTENE C4H6Cl2 cis-1,3-dichloropropene C3H4Cl2 trans-1,3-dichloropropene C3H4Cl2 1,4-DICHLOROBUTANE C4H8Cl2 1,5-DICHLOROPENTANE C5H10Cl2 DICHLOROMETHANE CH2Cl2 CHLOROFORM CHCl3 1,1-DICHLOROETHANE C2H4Cl2 1,2-DICHLOROETHANE C2H4Cl2 1,1,2-TRICHLOROETHANE C2H3Cl3 HEXACHLOROETHANE C2Cl6 1,2-DICHLOROPROPANE C3H6Cl2 1,1,1-TRICHLOROETHANE C2H3Cl3 1,1,1,2-TETRACHLOROETHANE C2H2Cl4 1,1,2,2-TETRACHLOROETHANE C2H2Cl ProSim SA, all rights reserved Page 36 sur 89

37 ISOPROPYL CHLORIDE C3H7Cl PROPARGYL CHLORIDE C3H3Cl 1,2,3-TRICHLOROPROPANE C3H5Cl3 ISOBUTYL CHLORIDE C4H9Cl tert-butyl CHLORIDE C4H9Cl 1,2-DICHLOROBUTANE C4H8Cl2 2,3-DICHLOROBUTANE C4H8Cl2 TRICHLOROETHYLENE C2HCl3 TETRACHLOROETHYLENE C2Cl4 3-CHLOROPROPENE C3H5Cl CHLOROCYCLOHEXANE C6H11Cl HEXACHLORO-1,3-BUTADIENE C4Cl6 BENZYL CHLORIDE C7H7Cl 3-CHLORO-o-XYLENE C8H9Cl 4-CHLORO-o-XYLENE C8H9Cl MONOCHLOROBENZENE C6H5Cl o-dichlorobenzene C6H4Cl2 m-dichlorobenzene C6H4Cl2 p-dichlorobenzene C6H4Cl2 HEXACHLOROBENZENE C6Cl6 BENZOTRICHLORIDE C7H5Cl3 o-chlorotoluene C7H7Cl p-chlorotoluene C7H7Cl 2,4-DICHLOROTOLUENE C7H6Cl2 cis-1,2-dichloroethylene C2H2Cl ProSim SA, all rights reserved Page 37 sur 89

38 trans-1,2-dichloroethylene C2H2Cl2 HEXACHLOROCYCLOPENTADIENE C5Cl6 CHLOROPRENE C4H5Cl PROPYL CHLORIDE C3H7Cl n-butyl CHLORIDE C4H9Cl sec-butyl CHLORIDE C4H9Cl 1-CHLOROPENTANE C5H11Cl 1-CHLORONAPHTHALENE C10H7Cl PENTACHLOROETHANE C2HCl5 1,1-DICHLOROETHYLENE C2H2Cl2 1,2,4-TRICHLOROBENZENE C6H3Cl3 1,4-DICHLORO-cis-2-BUTENE C4H6Cl2 CYANOGEN CHLORIDE CNCl 2-CHLOROPROPENE C3H5Cl m-chlorobenzoyl CHLORIDE C7H4OCl2 3,4-DICHLORO-1-BUTENE C4H6Cl2 (Z)-1,3-DICHLORO-2-BUTENE C4H6Cl2 BENZYL DICHLORIDE C7H6Cl2 CHLOROFLUOROMETHANE CFH2Cl DICHLORODIFLUOROMETHANE CF2Cl2 TRICHLOROFLUOROMETHANE CFCl3 1,4-DIBROMOBENZENE C6H4Br2 CHLORODIFLUOROMETHANE CF2HCl CHLOROTRIFLUOROMETHANE CF3Cl 2-CHLORO-1,1,1-TRIFLUOROETHANE C2F3H2Cl 2017 ProSim SA, all rights reserved Page 38 sur 89

39 1,2-DICHLOROTETRAFLUOROETHANE C2F4Cl2 PENTAFLUOROETHYL METHYL ETHER C3F5H3O 1,2-DIBROMOTETRAFLUOROETHANE C2F4Br2 2-CHLORO-1,1-DIFLUOROETHYLENE C2F2HCl METHYL FLUORIDE CFH3 DIFLUOROMETHANE CF2H2 TRIFLUOROMETHANE CF3H CARBON TETRAFLUORIDE CF4 ETHYL FLUORIDE C2FH5 1,1,1-TRIFLUOROETHANE C2F3H3 1,1,1,3,3,3-HEXAFLUOROPROPANE C3F6H2 HEXAFLUORO-1,3-BUTADIENE C4F6 DECAFLUOROBUTANE C4F10 PERFLUORO-n-HEXANE C6F14 PERFLUORO-n-OCTANE C8F18 PERFLUORO-n-NONANE C9F20 PERFLUORO-n-DECANE C10F22 1,1-DIFLUOROETHYLENE C2F2H2 TETRAFLUOROETHYLENE C2F4 PERFLUORO-n-DODECANE C12F26 BROMODIFLUOROMETHANE CF2HBr 1,1-DIFLUOROETHANE C2F2H4 BROMOMETHANE CH3Br BROMOETHANE C2H5Br PENTAFLUOROETHANE C2F5H 2017 ProSim SA, all rights reserved Page 39 sur 89

40 1,1,2,2-TETRABROMOETHANE C2H2Br4 1-BROMOPROPANE C3H7Br 2-BROMOPROPANE C3H7Br 1-BROMOBUTANE C4H9Br 1-BROMOHEPTANE C7H15Br 1,1-DIBROMOETHANE C2H4Br2 1,2-DIBROMOETHANE C2H4Br2 m-dibromobenzene C6H4Br2 1,1,1-TRICHLOROTRIFLUOROETHANE C2F3Cl3 BROMOBENZENE C6H5Br METHYL IODIDE CH3I ETHYL IODIDE C2H5I n-propyl IODIDE C3H7I ISOPROPYL IODIDE C3H7I IODOBENZENE C6H5I DIIODOMETHANE CH2I2 1,1-DICHLOROTETRAFLUOROETHANE C2F4Cl2 2,2-DICHLORO-1,1,1-TRIFLUOROETHANE C2F3HCl2 DICHLOROFLUOROMETHANE CFHCl2 1-BROMONAPHTHALENE C10H7Br TRIBROMOMETHANE CHBr3 HEXAFLUOROPROPYLENE C3F6 METHYLAMINE CH5N DIMETHYLAMINE C2H7N TRIMETHYLAMINE C3H9N 2017 ProSim SA, all rights reserved Page 40 sur 89

41 ETHYLAMINE C2H7N 2-METHYL-2-AMINOBUTANE C5H13N TRIETHYLAMINE C6H15N DI-n-PROPYLAMINE C6H15N N,N-DIMETHYL-n-BUTYLAMINE C6H15N N,N-DIETHYLMETHYLAMINE C5H13N DIETHYLAMINE C4H11N n-propylamine C3H9N n-butylamine C4H11N n-pentylamine C5H13N ISOBUTYLAMINE C4H11N CYCLOPROPYLAMINE C3H7N HYDRAZINE H4N2 DIISOBUTYLAMINE C8H19N ISOPROPYLAMINE C3H9N n-tetradecylamine C14H31N PYRROLE C4H5N METHYL DIETHANOLAMINE C5H13NO2 MONOETHANOLAMINE C2H7NO DIETHANOLAMINE C4H11NO2 TRIETHANOLAMINE C6H15NO3 sec-butylamine C4H11N tert-butylamine C4H11N CYCLOHEXYLAMINE C6H13N DEHYDROABIETYLAMINE C20H31N 2017 ProSim SA, all rights reserved Page 41 sur 89

42 HEXAMETHYLENEDIAMINE C6H16N2 2,4-DIAMINOTOLUENE C7H10N2 BENZYLAMINE C7H9N TRIETHYLENEDIAMINE C6H12N2 1,3-DIPHENYLTRIAZENE C12H11N3 o-toluidine C7H9N m-toluidine C7H9N p-toluidine C7H9N TRIETHYLENETETRAMINE C6H18N4 ALLYLAMINE C3H7N ETHYLENEDIAMINE C2H8N2 ETHYLENEIMINE C2H5N DIISOPROPYLAMINE C6H15N DI-n-BUTYLAMINE C8H19N PIPERIDINE C5H11N p-nitrodiphenylamine C12H10N2O2 p-aminodiphenylamine C12H12N2 QUINOLINE C9H7N FORMANILIDE C7H7NO N-AMINOETHYL PIPERAZINE C6H15N3 HEXAMETHYLENETETRAMINE C6H12N4 1,2-PROPANEDIAMINE C3H10N2 N,N-DIETHYLANILINE C10H15N N-METHYLPYRROLE C5H7N PYRAZINE C4H4N ProSim SA, all rights reserved Page 42 sur 89

43 DIPHENYLAMINE C12H11N PHENYLHYDRAZINE C6H8N2 MELAMINE C3H6N6 QUINALDINE C10H9N NITROMETHANE CH3NO2 NITROETHANE C2H5NO2 1-NITROPROPANE C3H7NO2 2-NITROPROPANE C3H7NO2 HYDRACRYLONITRILE C3H5NO MORPHOLINE C4H9NO PYRROLIDINE C4H9N N-METHYLPYRROLIDINE C5H11N TETRANITROMETHANE CN4O8 1-NITROBUTANE C4H9NO2 HYDROGEN CYANIDE CHN ACETONITRILE C2H3N PROPIONITRILE C3H5N ACRYLONITRILE C3H3N METHACRYLONITRILE C4H5N SUCCINONITRILE C4H4N2 ADIPONITRILE C6H8N2 o-nitrotoluene C7H7NO2 p-nitrotoluene C7H7NO2 m-nitrotoluene C7H7NO2 GLUTARONITRILE C5H6N ProSim SA, all rights reserved Page 43 sur 89

44 BUTYRONITRILE C4H7N VALERONITRILE C5H9N MALONONITRILE C3H2N2 HEXANENITRILE C6H11N ISOBUTYRONITRILE C4H7N trans-crotonitrile C4H5N BENZONITRILE C7H5N PYRIDINE C5H5N ANILINE C6H7N 2,4-TOLUENE DIISOCYANATE C9H6N2O2 HEXAMETHYLENEIMINE C6H13N N-METHYLANILINE C7H9N N,N-DIMETHYLANILINE C8H11N 2-METHYLPYRIDINE C6H7N cis-crotonitrile C4H5N CYANOGEN C2N2 METHYL MERCAPTAN CH4S ETHYL MERCAPTAN C2H6S n-propyl MERCAPTAN C3H8S tert-butyl MERCAPTAN C4H10S ISOBUTYL MERCAPTAN C4H10S sec-butyl MERCAPTAN C4H10S n-hexyl MERCAPTAN C6H14S n-nonyl MERCAPTAN C9H20S n-octyl MERCAPTAN C8H18S 2017 ProSim SA, all rights reserved Page 44 sur 89

45 ISOPROPYL MERCAPTAN C3H8S CYCLOHEXYL MERCAPTAN C6H12S BENZYL MERCAPTAN C7H8S METHYL ETHYL SULFIDE C3H8S METHYL n-propyl SULFIDE C4H10S METHYL t-butyl SULFIDE C5H12S METHYL t-pentyl SULFIDE C6H14S DI-n-PROPYL SULFIDE C6H14S DIETHYL SULFIDE C4H10S ETHYL n-octyl SULFIDE C10H22S DIMETHYL SULFIDE C2H6S THIOPHENE C4H4S BENZOTHIOPHENE C8H6S 2-MERCAPTOBENZOTHIAZOLE C7H5NS2 DIETHYL DISULFIDE C4H10S2 UNDECYL MERCAPTAN C11H24S n-decyl MERCAPTAN C10H22S n-pentyl MERCAPTAN C5H12S DIMETHYL DISULFIDE C2H6S2 DI-n-PROPYL DISULFIDE C6H14S2 4,6-DIMETHYLDIBENZOTHIOPHENE C14H12S DI-n-OCTYL SULFIDE C16H34S DICYCLOHEXYL SULFIDE C12H22S 3-ETHYL-2,5-DIMETHYLTHIOPHENE C8H12S 2-METHYL BENZOTHIOPHENE C9H8S 2017 ProSim SA, all rights reserved Page 45 sur 89

46 THIAINDAN C8H8S 2-METHYL THIAINDAN C9H10S n-dodecyl MERCAPTAN C12H26S tert-octyl MERCAPTAN C8H18S n-heptyl MERCAPTAN C7H16S DIALLYL SULFIDE C6H10S n-butyl MERCAPTAN C4H10S PHENYL MERCAPTAN C6H6S TETRAHYDROTHIOPHENE C4H8S DIMETHYL SULFOXIDE C2H6OS SULFOLANE C4H8O2S 3-METHYL SULFOLANE C5H10O2S DI-n-PROPYL SULFONE C6H14O2S DI-n-BUTYL SULFONE C8H18O2S CARBONYL FLUORIDE CF2O ACETYL CHLORIDE C2H3OCl CHLOROACETIC ACID C2H3O2Cl CHLOROACETYL CHLORIDE C2H2OCl2 DICHLOROACETYL CHLORIDE C2HOCl3 TRICHLOROACETYL CHLORIDE C2OCl4 BENZOYL CHLORIDE C7H5OCl p-chlorobenzotrifluoride C7F3H4Cl 2,4-DICHLOROBENZOTRIFLUORIDE C7F3H3Cl2 o-chloroaniline C6H6NCl FLUOROBENZENE C6FH ProSim SA, all rights reserved Page 46 sur 89

47 CHLOROMETHYL METHYL ETHER C2H5OCl 3-CHLORO-1,2-PROPANEDIOL C3H7O2Cl 1,3-DICHLORO-2-PROPANOL C3H6OCl2 HEXAFLUOROBENZENE C6F6 2,3-DICHLORO-1-PROPANOL C3H6OCl2 DI(2-CHLOROETHYL)ETHER C4H8OCl2 TRIETHYL ALUMINUM C6H15Al 3-(METHYLMERCAPTO)PROPANAL C4H8OS TRIISOBUTYL ALUMINUM C12H27Al TRIFLUOROACETIC ACID C2F3HO2 6-AMINOHEXANOL C6H15NO GLYCINE C2H5NO2 3-MERCAPTOPROPIONIC ACID C3H6O2S o-chlorobenzoic ACID C7H5O2Cl 4-METHOXYPHENYLACETIC ACID C9H10O3 N,N-DIMETHYLFORMAMIDE C3H7NO UREA CH4N2O 2-METHACRYLAMIDE C4H7NO ACRYLAMIDE C3H5NO epsilon-caprolactam C6H11NO alpha-epichlorohydrin C3H5OCl ACETONE CYANOHYDRIN C4H7NO TRI-n-BUTYL BORATE BC12H27O3 TRIPHENYLPHOSPHINE C18H15P HEXAMETHYL PHOSPHORAMIDE C6H18N3OP 2017 ProSim SA, all rights reserved Page 47 sur 89

48 NITROBENZENE C6H5NO2 GLYCOLIC ACID C2H4O3 ACETALDOL C4H8O2 FURFURAL C5H4O2 alpha-hydroxyisobutyric ACID C4H8O3 o-nitroanisole C7H7NO3 POTASSIUM ACETATE C2H3KO2 CARBONYL SULFIDE COS PHOSGENE COCl2 ACETOMETHOXANE C8H14O4 ETHYLENE GLYCOL DIACRYLATE C8H10O4 PROPYLENE GLYCOL MONOMETHYL ETHER ACETATE C6H12O3 DIPROPYLENE GLYCOL MONOMETHYL ETHER ACETATE C9H18O4 METHOXYDIHYDROPYRAN C6H10O2 SULFURIC ACID H2O4S PHOSPHORIC ACID H3O4P NITRIC ACID HNO3 HYDROGEN CHLORIDE HCl HYDROGEN FLUORIDE FH HYDROGEN BROMIDE HBr HYDROGEN IODIDE HI PHOSPHOROUS ACID H3O3P HYPOPHOSPHOROUS ACID H3O2P AMMONIA H3N 2017 ProSim SA, all rights reserved Page 48 sur 89

49 SODIUM HYDROXIDE HONa POTASSIUM HYDROXIDE HKO CALCIUM HYDROXIDE H2O2Ca ALUMINUM HYDROXIDE H3O3Al AMMONIUM HYDROXIDE H5NO WATER H2O HYDROGEN SULFIDE H2S SULFUR S PHOSPHORUS (WHITE) P PHOSPHORUS TRICHLORIDE PCl3 PHOSPHORUS PENTACHLORIDE PCl5 PHOSPHORUS THIOCHLORIDE PSCl3 PHOSPHORUS PENTASULFIDE P4S10 PHOSPHORUS OXYCHLORIDE OPCl3 PHOSPHORUS PENTOXIDE O10P4 VANADIUM TETRACHLORIDE VCl4 VANADIUM OXYTRICHLORIDE OVCl3 ALUMINUM PHOSPHATE (ORTHO) O4PAl ANTIMONY TRICHLORIDE Cl3Sb DICHLOROSILANE H2Cl2Si TRICHLOROSILANE HCl3Si TETRACHLOROSILANE Cl4Si CARBON DISULFIDE CS2 SODIUM CHLORIDE ClNa SULFUR HEXAFLUORIDE F6S 2017 ProSim SA, all rights reserved Page 49 sur 89

50 CALCIUM SULFATE O4SCa BORON TRIFLUORIDE BF3 SODIUM SULFATE O4SNa2 NITROGEN PENTOXIDE N2O5 SODIUM SILICATE O3Na2Si CALCIUM CHLORIDE CaCl2 POTASSIUM CHLORIDE KCl POTASSIUM BROMIDE KBr GALLIUM TRICHLORIDE Cl3Ga SULFURYL CHLORIDE O2SCl2 THIONYL CHLORIDE OSCl2 POTASSIUM CHLORATE KO3Cl SODIUM CHLORATE O3ClNa DISODIUM PHOSPHATE HO4PNa2 SODIUM HEXAMETAPHOSPHATE O18P6Na6 SODIUM TRIPOLYPHOSPHATE O10P3Na5 MONOLITHIUM PHOSPHATE H2O4PLi TRISODIUM PHOSPHATE O4PNa3 TETRASODIUM PYROPHOSPHATE O7P2Na4 BORON TRICHLORIDE BCl3 SILICON DIOXIDE O2Si TITANIUM DIOXIDE O2Ti HEXAMETHYLDISILAZANE C6H19NSi2 HEXAMETHYLDISILOXANE C6H18OSi2 HEXAMETHYLCYCLOTRISILOXANE C6H18O3Si ProSim SA, all rights reserved Page 50 sur 89

51 TETRAFLUOROSILANE F4Si NITROSYL FLUORIDE FNO DODECAMETHYLPENTASILOXANE C12H36O4Si5 p-chlorobenzenesulfonic ACID C6H5O3SCl METHYL VINYL DICHLOROSILANE C3H6Cl2Si NITROGEN TRIFLUORIDE F3N AMMONIUM PROPIONATE C3H9NO2 [3-(MERCAPTO)PROPYL]TRIETHOXYSILANE C9H22O3SSi 3-(TRIMETHOXYSILYL)-1-PROPANETHIOL C6H16O3SSi AMMONIUM SULFIDE H8N2S BIS[3-(TRIETHOXYSILYL)PROPYL]DISULFIDE C18H42O6S2Si2 DISILANE H6Si2 PHOSPHINE H3P SILANE H4Si DIBORANE B2H6 TETRAMETHYLSILANE C4H12Si TITANIUM TRICHLORIDE Cl3Ti NITROSYL CHLORIDE NOCl PERCHLORYL FLUORIDE FO3Cl OCTAMETHYLCYCLOTETRASILOXANE C8H24O4Si4 TETRAFLUOROHYDRAZINE F4N2 AMMONIUM NITRATE H4N2O3 CARBON C ARSENIC As GERMANIUM Ge 2017 ProSim SA, all rights reserved Page 51 sur 89

52 VANADIUM V CALCIUM OXIDE OCa HYDROGEN PEROXIDE H2O2 DEUTERIUM OXIDE D2O IODINE I2 BISMUTH Bi GLUTARALDEHYDE C5H8O2 n-triacontane C30H62 n-dotriacontane C32H66 3-OCTANONE C8H16O 4-OCTANONE C8H16O 3-NONANONE C9H18O n-hexatriacontane C36H74 4-NONANONE C9H18O 2-CYCLOHEXENE-1-ONE C6H8O 2,6,8-TRIMETHYL-4-NONANONE C12H24O 2,3-DIMETHYLOCTANE C10H22 2,4-DIMETHYLOCTANE C10H22 2,5-DIMETHYLOCTANE C10H22 2,6-DIMETHYLOCTANE C10H22 2,7-DIMETHYLOCTANE C10H22 m-ethylphenol C8H10O 2,6-DI-tert-BUTYL-p-CRESOL C15H24O 2-PHENYLETHANOL C8H10O 2,6-DIMETHYL-4-HEPTANOL C9H20O 2017 ProSim SA, all rights reserved Page 52 sur 89

53 1-PHENYL-1-PROPANOL C9H12O 1-PHENYL-2-PROPANOL C9H12O 2-PHENYL-1-PROPANOL C9H12O 3-PHENYL-1-PROPANOL C9H12O beta-cholesterol C27H46O alpha-methylbenzyl ALCOHOL C8H10O p-tolualcohol C8H10O o-tolualcohol C8H10O m-tolualcohol C8H10O p-tert-octylphenol C14H22O p-tert-amylphenol C11H16O p-cumylphenol C15H16O DINONYLPHENOL C24H42O 2,4-PENTANEDIOL C5H12O2 3-METHYL-trans-2-PENTENE C6H12 5-METHYL-1-HEXENE C7H14 DECAN-1,10-DIOL C10H22O2 1,4-CYCLOHEXANEDIMETHANOL C8H16O2 NEOABIETIC ACID C20H30O2 2-METHYL-1-OCTENE C9H18 2-METHYL-1-HEPTENE C8H16 TRIMELLITIC ACID C9H6O6 TRILACTIC ACID C9H14O7 LINOLENIC ACID C18H30O2 ABIETIC ACID C20H30O ProSim SA, all rights reserved Page 53 sur 89

54 AZELAIC ACID C9H16O4 NEOPENTANOIC ACID C5H10O2 n-pentadecanoic ACID C15H30O2 2-ETHYL HEXANOIC ACID C8H16O2 n-heptanoic ACID C7H14O2 NEOHEXANOIC ACID C6H12O2 NEOHEPTANOIC ACID C7H14O2 DEHYDROABIETIC ACID C20H28O2 n-heptadecanoic ACID C17H34O2 n-nonadecanoic ACID C19H38O2 n-eicosanic ACID C20H40O2 FUMARIC ACID C4H4O4 PIMELIC ACID C7H12O4 SUBERIC ACID C8H14O4 CINNAMIC ACID C9H8O2 ACETOXYACETIC ACID C4H6O4 SEBACIC ACID C10H18O4 CITRACONIC ACID C5H6O4 ITACONIC ACID C5H6O4 2-ETHYL BUTYRIC ACID C6H12O2 SUCCINIC ACID C4H6O4 GLUTARIC ACID C5H8O4 PYROMELLITIC ACID C10H6O8 IBUPROFEN C13H18O2 1-METHYL-4-VINYLCYCLOHEXENE C9H ProSim SA, all rights reserved Page 54 sur 89

55 2,6-NAPHTHALENEDICARBOXYLIC ACID C12H8O4 METHYL MALEIC ANHYDRIDE C5H4O3 sec-butyl FORMATE C5H10O2 tert-butyl FORMATE C5H10O2 n-hexyl FORMATE C7H14O2 n-heptyl FORMATE C8H16O2 1,2-HEXADIENE C6H10 CYCLOHEXYL FORMATE C7H12O2 tert-butyl ACETATE C6H12O2 METHYL ISOBUTYRATE C5H10O2 ETHYL ISOBUTYRATE C6H12O2 ISOPROPYL ACRYLATE C6H10O2 BENZYL FORMATE C8H8O2 CETYL METHACRYLATE C20H38O2 ALLYL METHACRYLATE C7H10O2 DIMETHYL-2,6-NAPHTHALENEDICARBOXYLATE C14H12O4 CYCLOHEXYL ACETATE C8H14O2 PROPYLENE CARBONATE C4H6O3 GLYCERYL TRIACETATE C9H14O6 n-nonyl n-undecyl PHTHALATE C28H46O4 DIISONONYL PHTHALATE C26H42O4 DIETHYL PHTHALATE C12H14O4 DI-n-BUTYL PHTHALATE C16H22O4 DIMETHYL PHTHALATE C10H10O4 DIETHYL SUCCINATE C8H14O ProSim SA, all rights reserved Page 55 sur 89