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Appendix D. Data Files |  |
solvent.data
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Appendix D. Data Files | |
solvent.data
— AMPAC Solvent Descriptor Data File
solvent.dataThe following data file is provided with the AMPAC™
Amsol Model Module™. It contains pre-determined solvent descriptor values that are
automatically loaded by AMPAC when the keyword
SOLVNT='name'
is used. See Chapter 15, AMSOL Model Module for more
information and the
SOLVNT keyword
description for more information.
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NAME IOFR ALPH BETA GAMMA DIELEC FACARB FEHALO 1,1,1-trichloroethane 1.4379 0.00 0.09 36.24 7.0826 0.000 0.600 1,1,2-trichloroethane 1.4714 0.13 0.13 48.97 7.1937 0.000 0.600 1,2,4-trimethylbenzene 1.5048 0.00 0.19 42.03 2.3653 0.667 0.000 1,2-dibromoethane 1.5387 0.10 0.17 56.93 4.9313 0.000 0.500 1,2-dichloroethane 1.4448 0.10 0.11 45.86 10.125 0.000 0.500 1,2-ethanediol 1.4318 0.58 0.78 69.07 40.245 0.000 0.000 1,4-dioxane 1.4224 0.00 0.64 47.14 2.2099 0.000 0.000 1-bromo-2-methylpropane 1.4348 0.00 0.12 34.69 7.7792 0.000 0.200 1-bromooctane 1.4524 0.00 0.12 41.28 5.0244 0.000 0.111 1-bromopentane 1.4447 0.00 0.12 38.7 6.269 0.000 0.167 1-bromopropane 1.4343 0.00 0.12 36.36 8.0496 0.000 0.250 1-butanol 1.3993 0.37 0.48 35.88 17.332 0.000 0.000 1-chlorohexane 1.4199 0.00 0.10 37.03 5.9491 0.000 0.143 1-chloropentane 1.4127 0.00 0.10 35.12 6.5022 0.000 0.167 1-chloropropane 1.3879 0.00 0.10 30.66 8.3548 0.000 0.250 1-decanol 1.4372 0.37 0.48 41.04 7.5305 0.000 0.000 1-fluorooctane 1.3935 0.00 0.10 33.92 3.89 0.000 0.111 1-heptanol 1.4249 0.37 0.48 38.5 11.321 0.000 0.000 1-hexanol 1.4178 0.37 0.48 37.15 12.51 0.000 0.000 1-hexene 1.3837 0.00 0.07 25.76 2.0717 0.000 0.000 1-hexyne 1.3989 0.12 0.10 28.79 2.615 0.000 0.000 1-iodobutane 1.5001 0.00 0.15 40.65 6.173 0.000 0.000 1-iodohexadecane 1.4806 0.00 0.15 46.48 3.5338 0.000 0.000 1-iodopentane 1.4959 0.00 0.15 41.56 5.6973 0.000 0.000 1-iodopropane 1.5058 0.00 0.15 41.45 6.9626 0.000 0.000 1-nitropropane 1.4018 0.00 0.31 43.32 23.73 0.000 0.000 1-nonanol 1.4333 0.37 0.48 40.14 8.5991 0.000 0.000 1-octanol 1.4295 0.37 0.48 39.01 9.8629 0.000 0.000 1-pentanol 1.4101 0.37 0.48 36.5 15.13 0.000 0.000 1-pentene 1.3715 0.00 0.07 22.24 1.9905 0.000 0.000 1-propanol 1.3850 0.37 0.48 33.57 20.524 0.000 0.000 2,2,2-trifluoroethanol 1.2907 0.57 0.25 42.02 26.726 0.000 0.500 2,2,4-trimethylpentane 1.3915 0.00 0.00 26.38 1.9358 0.000 0.000 2,4-dimethylpentane 1.3815 0.00 0.00 25.42 1.8939 0.000 0.000 2,4-dimethylpyridine 1.5010 0.00 0.63 46.86 9.4176 0.625 0.000 2,6-dimethylpyridine 1.4953 0.00 0.63 44.64 7.1735 0.625 0.000 2-bromopropane 1.4251 0.00 0.14 33.46 9.3610 0.000 0.250 2-butanol 1.3978 0.33 0.56 32.44 15.944 0.000 0.000 2-chlorobutane 1.3971 0.00 0.12 31.1 8.3930 0.000 0.200 2-heptanone 1.4088 0.00 0.51 37.6 11.658 0.000 0.000 2-hexanone 1.4007 0.00 0.51 36.63 14.136 0.000 0.000 2-methoxyethanol 1.4024 0.30 0.84 44.39 17.2 0.000 0.000 2-methyl-1-propanol 1.3955 0.37 0.48 32.38 16.777 0.000 0.000 2-methyl-2-propanol 1.3878 0.31 0.60 28.73 12.47 0.000 0.000 2-methylpentane 1.3715 0.00 0.00 24.3 1.89 0.000 0.000 2-methylpyridine 1.4957 0.00 0.58 47.5 9.9533 0.714 0.000 2-nitropropane 1.3944 0.00 0.33 42.16 25.654 0.000 0.000 2-octanone 1.4151 0.00 0.51 37.29 9.4678 0.000 0.000 2-pentanone 1.3895 0.00 0.51 33.46 15.200 0.000 0.000 2-propanol 1.3776 0.33 0.56 30.13 19.264 0.000 0.000 2-propen-1-ol 1.4135 0.38 0.48 36.39 19.011 0.000 0.000 3-methylpyridine 1.5040 0.00 0.54 49.61 11.645 0.714 0.000 3-pentanone 1.3924 0.00 0.51 35.61 16.78 0.000 0.000 4-heptanone 1.4069 0.00 0.51 35.98 12.257 0.000 0.000 4-methyl-2-pentanone 1.3962 0.00 0.51 33.83 12.887 0.000 0.000 4-methylpyridine 1.5037 0.00 0.54 50.17 11.957 0.714 0.000 5-nonanone 1.4195 0.00 0.51 37.83 10.6 0.000 0.000 a-chlorotoluene 1.5391 0.00 0.33 53.04 6.7175 0.750 0.125 acetic acid 1.3720 0.61 0.44 39.01 6.2528 0.000 0.000 acetone 1.3588 0.04 0.49 33.77 20.493 0.000 0.000 acetonitrile 1.3442 0.07 0.32 41.25 35.688 0.000 0.000 acetophenone 1.5372 0.00 0.48 56.19 17.44 0.667 0.000 aniline 1.5863 0.26 0.41 60.62 6.8882 0.857 0.000 anisole 1.5174 0.00 0.29 50.52 4.2247 0.750 0.000 benzaldehyde 1.5463 0.00 0.39 54.69 18.220 0.857 0.000 benzene 1.5011 0.00 0.14 40.62 2.2706 1.000 0.000 benzonitrile 1.5289 0.00 0.33 55.83 25.592 0.750 0.000 benzyl alcohol 1.5396 0.33 0.56 52.96 12.457 0.750 0.000 bromobenzene 1.5597 0.00 0.09 50.72 5.3954 0.857 0.143 bromoethane 1.4239 0.00 0.12 34. 9.01 0.000 0.333 bromoform 1.6005 0.15 0.06 64.58 4.2488 0.000 0.750 butanal 1.3843 0.00 0.45 35.06 13.45 0.000 0.000 butanoic acid 1.3980 0.60 0.45 37.49 2.9931 0.000 0.000 butanone 1.3788 0.00 0.51 34.5 18.246 0.000 0.000 butanonitrile 1.3842 0.00 0.36 38.75 24.291 0.000 0.000 butyl ethanoate 1.3941 0.00 0.45 35.81 4.9941 0.000 0.000 butylamine 1.4031 0.16 0.61 33.74 4.6178 0.000 0.000 carbon disulfide 1.6319 0.00 0.07 45.45 2.6105 0.000 0.000 carbon tetrachloride 1.4601 0.00 0.00 38.04 2.2280 0.000 0.800 chlorobenzene 1.5241 0.00 0.07 47.48 5.6968 0.857 0.143 chloroform 1.4459 0.15 0.02 38.39 4.7113 0.000 0.750 cis-decalin 1.4810 0.00 0.00 45.45 2.2139 0.000 0.000 cis-1,2-dimethylcyclohexane 1.4360 0.00 0.00 36.28 2.06 0.000 0.000 cyclohexane 1.4266 0.00 0.00 35.48 2.0165 0.000 0.000 cyclohexanone 1.4507 0.00 0.56 49.76 15.619 0.000 0.000 cyclopentane 1.4065 0.00 0.00 31.49 1.9608 0.000 0.000 cyclopentanol 1.4530 0.32 0.56 46.8 16.989 0.000 0.000 cyclopentanone 1.4366 0.00 0.52 47.21 13.58 0.000 0.000 decalin (cis/trans mixture) 1.4528 0.00 0.00 43.82 2.196 0.000 0.000 dibromomethane 1.5420 0.10 0.10 56.21 7.2273 0.000 0.667 dibutylether 1.3992 0.00 0.45 35.98 3.0473 0.000 0.000 dichloromethane 1.4242 0.10 0.05 39.15 8.93 0.000 0.667 diethyl ether 1.3526 0.00 0.41 23.96 4.2400 0.000 0.000 diethyl sulfide 1.4430 0.00 0.32 35.36 5.723 0.000 0.000 diethylamine 1.3864 0.80 0.69 28.57 3.5766 0.000 0.000 diiodomethane 1.7425 0.05 0.23 95.25 5.32 0.000 0.000 diisopropyl ether 1.3679 0.00 0.41 24.86 3.38 0.000 0.000 dimethyl disulfide 1.5289 0.00 0.28 48.06 9.6 0.000 0.000 dimethylsulfoxide 1.4170 0.00 0.88 61.78 46.826 0.000 0.000 diphenylether 1.5787 0.00 0.20 38.5 3.73 0.923 0.000 dipropylamine 1.4050 0.08 0.69 32.11 2.9112 0.000 0.000 E-1,2-dichloroethene 1.4454 0.09 0.05 37.13 2.14 0.000 0.500 E-2-pentene 1.3793 0.00 0.07 23.62 2.051 0.000 0.000 ethanethiol 1.4310 0.00 0.24 33.22 6.667 0.000 0.000 ethanol 1.3611 0.37 0.48 31.62 24.852 0.000 0.000 ethyl ethanoate 1.3723 0.00 0.45 33.67 5.9867 0.000 0.000 ethyl methanoate 1.3599 0.00 0.38 33.36 8.3310 0.000 0.000 ethyl phenyl ether 1.5076 0.00 0.32 46.65 4.1797 0.667 0.000 ethylbenzene 1.4959 0.00 0.15 41.38 2.4339 0.750 0.000 fluorobenzene 1.4684 0.00 0.10 38.37 5.42 0.857 0.143 formamide 1.4472 0.62 0.60 82.08 108.94 0.000 0.000 formic acid 1.3714 0.75 0.38 53.44 51.1 0.000 0.000 hexanoic acid 1.4163 0.60 0.45 39.65 2.6 0.000 0.000 iodobenzene 1.6200 0.00 0.12 55.72 4.5470 0.857 0.000 iodoethane 1.5133 0.00 0.15 40.96 7.6177 0.000 0.000 iodomethane 1.5380 0.00 0.13 43.67 6.8650 0.000 0.000 isopropylbenzene 1.4915 0.00 0.16 39.85 2.3712 0.667 0.000 m-cresol 1.5438 0.57 0.34 51.37 12.44 0.750 0.000 m-xylene 1.4972 0.00 0.16 40.98 2.3478 0.750 0.000 mesitylene 1.4994 0.00 0.19 39.65 2.2650 0.667 0.000 methanol 1.3288 0.43 0.47 31.77 32.613 0.000 0.000 methyl benzoate 1.5164 0.00 0.46 53.5 6.7367 0.600 0.000 methyl butanoate 1.3878 0.00 0.45 35.44 5.5607 0.000 0.000 methyl ethanoate 1.3614 0.00 0.45 35.59 6.8615 0.000 0.000 methyl methanoate 1.3433 0.00 0.38 35.06 8.8377 0.000 0.000 methyl propanoate 1.3775 0.00 0.45 35.18 6.0777 0.000 0.000 methylcyclohexane 1.4231 0.00 0.00 33.52 2.024 0.000 0.000 N,N-dimethylacetamide 1.4380 0.00 0.78 47.62 37.781 0.000 0.000 N,N-dimethylformamide 1.4305 0.00 0.74 49.56 37.219 0.000 0.000 n-butylbenzene 1.4898 0.00 0.15 41.33 2.36 0.600 0.000 n-decane 1.4102 0.00 0.00 33.64 1.9846 0.000 0.000 n-dodecane 1.4216 0.00 0.00 35.85 2.0060 0.000 0.000 n-heptane 1.3878 0.00 0.00 28.28 1.9113 0.000 0.000 n-hexadecane 1.4345 0.00 0.00 38.93 2.0402 0.000 0.000 n-hexane 1.3749 0.00 0.00 25.75 1.8819 0.000 0.000 N-methylaniline 1.5684 0.17 0.43 53.11 5.9600 0.750 0.000 N-methylformamide (E/Z mixture) 1.4319 0.40 0.55 55.44 181.56 0.000 0.000 n-nonane 1.4054 0.00 0.00 32.21 1.9605 0.000 0.000 n-octane 1.3974 0.00 0.00 30.43 1.9406 0.000 0.000 n-pentadecane 1.4315 0.00 0.00 38.34 2.0333 0.000 0.000 n-pentane 1.3575 0.00 0.00 22.3 1.8371 0.000 0.000 n-undecane 1.4398 0.00 0.00 34.85 1.9910 0.000 0.000 nitrobenzene 1.5562 0.00 0.28 57.54 34.809 0.667 0.000 nitroethane 1.3917 0.02 0.33 46.25 28.29 0.000 0.000 nitromethane 1.3817 0.06 0.31 52.58 36.562 0.000 0.000 o-chlorotoluene 1.5268 0.00 0.07 47.43 4.6331 0.750 0.125 o-cresol 1.5361 0.52 0.30 53.11 6.76 0.750 0.000 o-dichlorobenzene 1.5515 0.00 0.04 52.72 9.9949 0.750 0.250 o-nitrotoluene 1.5450 0.00 0.27 59.12 25.669 0.600 0.000 o-xylene 1.5055 0.00 0.16 42.83 2.5454 0.750 0.000 p-isopropyltoluene 1.4909 0.00 0.19 38.34 2.2322 0.600 0.000 p-xylene 1.4958 0.00 0.16 40.32 2.2705 0.750 0.000 pentanal 1.3944 0.00 0.45 36.62 10.00 0.000 0.000 pentanoic acid 1.4085 0.60 0.45 38.4 2.6924 0.000 0.000 pentyl ethanoate 1.4023 0.00 0.45 36.23 4.7297 0.000 0.000 pentylamine 1.448 0.16 0.61 35.54 4.2010 0.000 0.000 perfluorobenzene 1.3777 0.00 0.00 31.74 2.029 0.500 0.500 propanal 1.3636 0.00 0.45 32.48 18.5 0.000 0.000 propanoic acid 1.3869 0.60 0.45 37.71 3.44 0.000 0.000 propanonitrile 1.3655 0.02 0.36 38.5 29.324 0.000 0.000 propyl ethanoate 1.3842 0.00 0.45 34.26 5.5205 0.000 0.000 propylamine 1.3870 0.16 0.61 31.31 4.9912 0.000 0.000 pyridine 1.5095 0.00 0.52 52.62 12.978 0.833 0.000 sec-butylbenzene 1.4895 0.00 0.16 40.35 2.3446 0.600 0.000 tert-butylbenzene 1.4927 0.00 0.16 39.78 2.3447 0.600 0.000 tetrachloroethene 1.5053 0.00 0.00 45.19 2.268 0.000 0.667 tetrahydrofuran 1.4050 0.00 0.48 39.44 7.4257 0.000 0.000 tetrahydrothiophene-S,S-dioxide 1.4833 0.00 0.88 87.49 43.962 0.000 0.000 tetralin 1.5413 0.00 0.19 47.74 2.771 0.600 0.000 thiophene 1.5289 0.00 0.15 44.16 2.7270 0.800 0.000 thiophenol 1.5893 0.09 0.16 55.24 4.2728 0.857 0.000 toluene 1.4961 0.00 0.14 40.2 2.3741 0.857 0.000 trans-decalin 1.4695 0.00 0.00 42.19 2.1781 0.000 0.000 tributylphosphate 1.4224 0.00 1.21 27.55 8.1781 0.000 0.000 trichloroethene 1.4773 0.08 0.03 41.45 3.422 0.000 0.600 triethylamine 1.4010 0.00 0.79 29.1 2.3832 0.000 0.000 xylene (mixture) 1.4995 0.00 0.16 41.38 2.3879 0.750 0.000 Z-1,2-dichloroethene 1.4490 0.11 0.05 39.8 9.2 0.000 0.500
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Copyright © 1992-2013 Semichem, Inc. All rights reserved. |
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| Appendix D. Data Files |  |
Appendix E. Debugging |