bem solvents
The following solvents are available as predefined options in the bem section.
The dielectric constant ε is computed as:
Solvent |
Refractive Index (n) |
Dielectric Constant (ε = n²) |
|---|---|---|
vacuum |
1.0000 |
1.0000 |
water |
1.3330 |
1.7778 |
acetonitrile |
1.3441 |
1.8076 |
acetone |
1.3586 |
1.8457 |
benzene |
1.0000 |
1.0000 |
chloroform |
1.4458 |
2.0913 |
chlorobenzene |
1.5248 |
2.3250 |
cyclohexane |
1.4262 |
2.0340 |
cyclopentane |
1.4064 |
1.9780 |
dichloromethane |
1.4241 |
2.0281 |
1,4-dioxane |
1.4224 |
2.0223 |
1,1,2-trichlorotrifluoroethane |
1.3557 |
1.8389 |
1,2,4-trichlorobenzene |
1.5717 |
2.4702 |
2-methoxyethanol |
1.4021 |
1.9660 |
dimethylacetamide |
1.4384 |
2.0689 |
dimethylsulfoxide |
1.4793 |
2.1872 |
ethyl acetate |
1.3724 |
1.8835 |
ethyl alcohol |
1.3614 |
1.8524 |
ethyl ether |
1.3524 |
1.8290 |
ethylene dichloride |
1.4448 |
2.0885 |
glyme |
1.3796 |
1.9022 |
heptane |
1.3876 |
1.9254 |
hexane |
1.3749 |
1.8903 |
isobutyl alcohol |
1.3959 |
1.9490 |
isopropyl alcohol |
1.3772 |
1.8966 |
isopropyl myristrate |
1.4332 |
2.0531 |
iso-octane |
1.3914 |
1.9360 |
methyl ethl ketone |
1.3788 |
1.8990 |
methyl isobutyl ketone |
1.3957 |
1.9480 |
methyl isoamyl ketone |
1.4070 |
1.9800 |
methyl n-propyl ketone |
1.3901 |
1.9324 |
methyl t-butyl ether |
1.3689 |
1.8749 |
n-butyl acetate |
1.3942 |
1.9448 |
n-butyl alcohol |
1.3993 |
1.9579 |
n-butyl chloride |
1.4021 |
1.9660 |
n-methylpyrrolidone |
1.4700 |
2.1609 |
n-propyl alcohol |
1.3856 |
1.9199 |
n,n-dimethylformamide |
1.4305 |
2.0463 |
o-dichlorobenzene |
1.5514 |
2.4068 |
o-xylene |
1.5054 |
2.2663 |
pentane |
1.3575 |
1.8428 |
petroleum ether |
1.3650 |
1.8632 |
propylene carbonate |
1.4210 |
2.0192 |
pyridine |
1.5102 |
2.2807 |
tetrahydrofuran |
1.4072 |
1.9802 |
toluene |
1.4969 |
2.2407 |
triethylamine |
1.4010 |
1.9630 |
trifluoroacetic acid |
1.2850 |
1.6512 |
The pretabulated data are taken from: link