species |
name |
calculated |
experimental |
difference |
C4H8O2 |
Butanoic acid |
7.281 |
|
|
ClF3 |
Chlorine trifluoride |
2.818 |
7.483 |
-4.665 |
SiH3Cl |
chlorosilane |
4.941 |
9.113 |
-4.172 |
ClF3 |
Chlorine trifluoride |
3.355 |
7.483 |
-4.128 |
CH3CHClCH2CH3 |
Butane, 2-chloro- |
8.826 |
12.499 |
-3.674 |
AsCl3 |
Arsenous trichloride |
8.171 |
11.370 |
-3.199 |
CH2ClCH2CH3 |
Propane, 1-chloro- |
6.993 |
10.000 |
-3.007 |
CH2ClCH2CH3 |
Propane, 1-chloro- |
7.052 |
10.000 |
-2.948 |
BCl3 |
Borane, trichloro- |
5.850 |
8.700 |
-2.850 |
CH2Br2 |
dibromomethane |
5.891 |
8.680 |
-2.789 |
CCl4 |
Carbon tetrachloride |
7.259 |
10.002 |
-2.743 |
CS2 |
Carbon disulfide |
6.020 |
8.749 |
-2.729 |
CH2ClCH2CH2CH3 |
Butane, 1-chloro- |
8.804 |
11.301 |
-2.497 |
CHCl2CHF2 |
1,1-dichloro-2,2-difluoroethane |
5.982 |
8.401 |
-2.418 |
CHCl3 |
Chloroform |
5.763 |
8.129 |
-2.366 |
As4 |
Arsenic tetramer |
14.956 |
17.293 |
-2.337 |
Al2Cl6 |
Aluminum, di-μ-chlorotetrachlorodi- |
15.549 |
17.886 |
-2.337 |
CH2Cl2 |
Methylene chloride |
4.336 |
6.659 |
-2.323 |
TiCl4 |
Titanium tetrachloride |
12.744 |
15.001 |
-2.256 |
PBr3 |
Phosphorus tribromide |
12.127 |
14.380 |
-2.253 |
Br2 |
Bromine diatomic |
4.193 |
6.431 |
-2.239 |
C10H8 |
naphthalene |
15.178 |
17.400 |
-2.222 |
PCl3 |
Phosphorus trichloride |
8.423 |
10.634 |
-2.211 |
C6H5Br |
bromobenzene |
12.565 |
14.700 |
-2.135 |
C6H5CHO |
benzaldehyde |
10.703 |
12.800 |
-2.097 |
C5H12O |
1-Pentanol |
9.501 |
11.581 |
-2.080 |
N2O4 |
Dinitrogen tetroxide |
4.458 |
6.495 |
-2.037 |
GeCl4 |
Germanium Tetrachloride |
10.502 |
12.490 |
-1.989 |
CF2Cl2 |
difluorodichloromethane |
4.392 |
6.370 |
-1.978 |
BrCN |
Cyanogen bromide |
3.857 |
5.824 |
-1.967 |
C9H20 |
Nonane |
15.436 |
17.370 |
-1.934 |
SiCl4 |
Silane, tetrachloro- |
9.344 |
11.269 |
-1.926 |
CSe2 |
Carbon diselenide |
9.365 |
11.269 |
-1.905 |
CF3Br |
Bromotrifluoromethane |
3.781 |
5.650 |
-1.869 |
H2Se |
Hydrogen selenide |
2.907 |
4.770 |
-1.863 |
BeH2 |
beryllium dihydride |
2.485 |
4.340 |
-1.855 |
CH3Br |
methyl bromide |
3.760 |
5.610 |
-1.850 |
CH2FCH2Cl |
Ethane, 1-chloro-2-fluoro- |
4.704 |
6.499 |
-1.795 |
C2H6O2S |
Dimethyl sulfone |
6.615 |
8.401 |
-1.786 |
CH3SCH3 |
Dimethyl sulfide |
5.778 |
7.550 |
-1.772 |
CHBr3 |
bromoform |
10.075 |
11.840 |
-1.765 |
CH2FCH2Cl |
Ethane, 1-chloro-2-fluoro- |
4.739 |
6.499 |
-1.761 |
P |
Phosphorus atom |
1.884 |
3.630 |
-1.746 |
C2H5Br |
Ethyl bromide |
5.557 |
7.280 |
-1.724 |
(CH3)3CC(CH3)3 |
tetramethylbutane |
13.890 |
15.610 |
-1.720 |
(CH3)3CC(CH3)3 |
tetramethylbutane |
13.893 |
15.610 |
-1.717 |
S |
Sulfur atom |
1.225 |
2.900 |
-1.675 |
CH2ClCH2OH |
2-Chloroethanol |
5.216 |
6.880 |
-1.664 |
HCCCl |
Chloroacetylene |
4.412 |
6.070 |
-1.658 |
C16H10 |
Pyrene |
28.073 |
29.720 |
-1.646 |
CH3CH2SH |
ethanethiol |
5.744 |
7.380 |
-1.635 |
CH2ClCHCl2 |
1,1,2-trichloroethane |
8.644 |
10.260 |
-1.617 |
CF3Cl |
Methane, chlorotrifluoro- |
3.034 |
4.650 |
-1.616 |
Cl2CS |
Thiophosgene |
7.965 |
9.573 |
-1.608 |
OCS |
Carbonyl sulfide |
3.529 |
5.090 |
-1.561 |
CH2CHCHCH2 |
1,3-Butadiene |
7.324 |
8.881 |
-1.557 |
C3H4N2 |
1H-Pyrazole |
5.692 |
7.230 |
-1.537 |
Si2H6 |
disilane |
7.891 |
9.410 |
-1.519 |
Cl2 |
Chlorine diatomic |
3.100 |
4.610 |
-1.510 |
C4H4O |
Furan |
5.745 |
7.230 |
-1.485 |
CH3SOCH3 |
Dimethyl sulfoxide |
6.500 |
7.969 |
-1.469 |
C6H6 |
Benzene |
8.521 |
9.959 |
-1.438 |
C5H11Cl |
Pentane, 1-chloro- |
10.580 |
12.000 |
-1.420 |
NH2CH2CH2CH3 |
1-Propanamine |
6.281 |
7.700 |
-1.419 |
H2S |
Hydrogen sulfide |
2.213 |
3.631 |
-1.417 |
C3H4N2 |
1H-Imidazole |
5.688 |
7.090 |
-1.402 |
CCl3CHO |
trichloroacetaldehyde |
9.114 |
10.500 |
-1.386 |
CH3Cl |
Methyl chloride |
3.042 |
4.416 |
-1.374 |
CH2CHCHO |
Acrolein |
5.007 |
6.379 |
-1.372 |
C4H10O |
Methyl propyl ether |
7.489 |
8.860 |
-1.371 |
AsH3 |
Arsine |
4.113 |
5.468 |
-1.355 |
CH3CHBrCH3 |
i-propyl bromide |
8.270 |
9.600 |
-1.330 |
CH3CCl3 |
Ethane, 1,1,1-trichloro- |
8.794 |
10.120 |
-1.326 |
CH3CH2Cl |
Ethyl chloride |
5.273 |
6.590 |
-1.317 |
CF3CHF2 |
pentafluoroethane |
3.308 |
4.623 |
-1.315 |
C2H3Br |
vinyl bromide |
6.290 |
7.590 |
-1.300 |
O3 |
Ozone |
1.781 |
3.079 |
-1.298 |
CH3CCH |
propyne |
4.253 |
5.550 |
-1.297 |
CHFCl2 |
fluorodichloromethane |
5.314 |
6.611 |
-1.296 |
C4H8O2 |
Ethyl acetate |
7.343 |
8.620 |
-1.276 |
CHClCHCl |
Ethene, 1,2-dichloro-, (Z)- |
6.760 |
8.030 |
-1.270 |
SF6 |
Sulfur Hexafluoride |
3.237 |
4.490 |
-1.253 |
C6H15N |
triethylamine |
12.136 |
13.380 |
-1.243 |
CH2CO |
Ketene |
3.163 |
4.400 |
-1.237 |
C5H12 |
Propane, 2,2-dimethyl- |
9.003 |
10.240 |
-1.237 |
HCl |
Hydrogen chloride |
1.279 |
2.515 |
-1.236 |
BBr3 |
Boron tribromide |
10.116 |
11.351 |
-1.235 |
CH2CHCHO |
Acrolein |
5.153 |
6.379 |
-1.226 |
CCl2O |
Phosgene |
5.567 |
6.790 |
-1.223 |
CHClCHCl |
Ethene, 1,2-dichloro-, (E)- |
6.936 |
8.150 |
-1.214 |
C6H12 |
Cyclohexane |
9.786 |
11.000 |
-1.214 |
C14H10 |
Anthracene |
25.486 |
26.700 |
-1.214 |
C2H3Cl |
Ethene, chloro- |
5.204 |
6.410 |
-1.206 |
CH3SH |
Methanethiol |
3.982 |
5.186 |
-1.204 |
CH2ClCH2Cl |
Ethane, 1,2-dichloro- |
6.801 |
8.000 |
-1.200 |
CFCl3 |
Trichloromonofluoromethane |
7.059 |
8.249 |
-1.191 |
SO2 |
Sulfur dioxide |
2.698 |
3.882 |
-1.185 |
CHClCCl2 |
Trichloroethylene |
8.577 |
9.751 |
-1.173 |
N2H4 |
Hydrazine |
2.287 |
3.460 |
-1.173 |
C2N2 |
Cyanogen |
3.847 |
5.015 |
-1.167 |
HCOOC2H5 |
Ethyl formate |
5.716 |
6.880 |
-1.165 |
CH3CHCl2 |
Ethane, 1,1-dichloro- |
7.007 |
8.161 |
-1.153 |
C2H4S |
Thiirane |
5.761 |
6.910 |
-1.149 |
SO3 |
Sulfur trioxide |
3.181 |
4.297 |
-1.116 |
C3F6 |
hexafluoropropene |
4.730 |
5.838 |
-1.109 |
HBr |
hydrogen bromide |
2.519 |
3.616 |
-1.096 |
GeF4 |
Germanium tetrafluoride |
2.955 |
4.050 |
-1.095 |
C2H2 |
Acetylene |
2.400 |
3.487 |
-1.086 |
C2H5CN |
ethyl cyanide |
5.167 |
6.240 |
-1.073 |
C8H18 |
Octane |
14.169 |
15.239 |
-1.070 |
NF3 |
Nitrogen trifluoride |
1.741 |
2.810 |
-1.068 |
C6H12 |
Cyclohexane |
9.932 |
11.000 |
-1.068 |
CH3CH2SH |
ethanethiol |
6.319 |
7.380 |
-1.060 |
CH2ClCH2Cl |
Ethane, 1,2-dichloro- |
6.945 |
8.000 |
-1.056 |
CH3OCH3 |
Dimethyl ether |
4.110 |
5.160 |
-1.049 |
C5H12O |
Propane, 1-ethoxy- |
9.632 |
10.680 |
-1.048 |
NO2 |
Nitrogen dioxide |
1.867 |
2.910 |
-1.043 |
CH2CHCHCH2 |
1,3-Butadiene |
7.838 |
8.881 |
-1.042 |
CH3COCH3 |
Acetone |
5.228 |
6.270 |
-1.042 |
CH3CH2OH |
Ethanol |
4.074 |
5.112 |
-1.038 |
CH2CCl2 |
Ethene, 1,1-dichloro- |
6.809 |
7.830 |
-1.021 |
CH2CHCH3 |
Propene |
4.969 |
5.990 |
-1.021 |
CH3CH2CH2CN |
Butanenitrile |
7.387 |
8.400 |
-1.013 |
C3H8O2 |
Methane, dimethoxy- |
6.688 |
7.700 |
-1.012 |
C3H6 |
Cyclopropane |
4.649 |
5.640 |
-0.991 |
C2H4 |
Ethylene |
3.198 |
4.188 |
-0.990 |
C3H7OH |
1-Propanol |
5.702 |
6.670 |
-0.968 |
C7H16 |
heptane |
12.406 |
13.371 |
-0.964 |
C2H4O |
Ethylene oxide |
3.470 |
4.431 |
-0.961 |
C6H14 |
Hexane |
10.671 |
11.630 |
-0.959 |
CHF3 |
Methane, trifluoro- |
1.845 |
2.801 |
-0.955 |
C5H12 |
Pentane |
8.926 |
9.879 |
-0.954 |
N2O |
Nitrous oxide |
2.046 |
2.998 |
-0.951 |
CH3CH(NH2)CH3 |
2-Propanamine |
6.821 |
7.769 |
-0.948 |
C5H10O |
3-Pentanone |
8.988 |
9.930 |
-0.942 |
HCOOH |
Formic acid |
2.396 |
3.319 |
-0.923 |
C6H10O |
cyclohexanone |
10.143 |
11.061 |
-0.917 |
C3H7OC3H7 |
di-n-propyl ether |
11.313 |
12.219 |
-0.906 |
C5H10 |
2-Pentene, (E)- |
8.936 |
9.839 |
-0.904 |
C3H8O2 |
Methane, dimethoxy- |
6.797 |
7.700 |
-0.903 |
PF3 |
Phosphorus trifluoride |
3.519 |
4.414 |
-0.895 |
CHCCH2CH3 |
1-Butyne |
6.517 |
7.410 |
-0.893 |
CH2FCl |
fluorochloromethane |
3.618 |
4.509 |
-0.892 |
CH3CCl(CH3)CH3 |
Propane, 2-chloro-2-methyl- |
8.991 |
9.879 |
-0.889 |
HCOOH |
Formic acid |
2.432 |
3.319 |
-0.888 |
CH2F2 |
Methane, difluoro- |
1.874 |
2.761 |
-0.886 |
C3H7OC3H7 |
di-n-propyl ether |
11.334 |
12.219 |
-0.886 |
P4 |
Phosphorus tetramer |
12.718 |
13.589 |
-0.870 |
CH3CH2CH2Br |
n-propyl bromide |
8.200 |
9.070 |
-0.870 |
CH2CCH2 |
allene |
4.822 |
5.690 |
-0.868 |
CH3CH2CH2CH3 |
Butane |
7.163 |
8.020 |
-0.856 |
C2H8N2 |
Ethylenediamine |
6.351 |
7.200 |
-0.849 |
CH3CCCH3 |
2-Butyne |
6.631 |
7.480 |
-0.849 |
C6H5OCH3 |
Anisole |
12.254 |
13.100 |
-0.845 |
CH3COCH2CH3 |
2-Butanone |
7.345 |
8.190 |
-0.845 |
C6H12 |
hex-1-ene |
10.816 |
11.650 |
-0.834 |
C6H10 |
1-Hexyne |
10.066 |
10.900 |
-0.834 |
C5H10O |
2-Pentanone |
9.096 |
9.930 |
-0.834 |
C5H10O |
2-Pentanone |
9.096 |
9.930 |
-0.834 |
CH3C6H4CH3 |
paraxylene |
13.426 |
14.260 |
-0.834 |
PF5 |
Phosphorus pentafluoride |
2.817 |
3.650 |
-0.833 |
C5H11N |
Piperidine |
9.487 |
10.320 |
-0.833 |
CH3COCH2CH3 |
2-Butanone |
7.359 |
8.190 |
-0.831 |
C5H8O |
Cyclopentanone |
8.426 |
9.250 |
-0.824 |
CH3CH2CH2CH3 |
Butane |
7.197 |
8.020 |
-0.822 |
CH3OH |
Methyl alcohol |
2.392 |
3.210 |
-0.818 |
CH3NH2 |
methyl amine |
2.939 |
3.754 |
-0.814 |
NH3 |
Ammonia |
1.295 |
2.103 |
-0.807 |
C4H10O |
Ethoxy ethane |
7.923 |
8.730 |
-0.807 |
C4H10O |
1-Butanol |
7.765 |
8.570 |
-0.805 |
CH3CH2NH2 |
Ethylamine |
5.070 |
5.870 |
-0.800 |
H2CO |
Formaldehyde |
1.974 |
2.770 |
-0.796 |
CHOCH2CH2CH3 |
Butanal |
7.392 |
8.180 |
-0.788 |
PH3 |
Phosphine |
3.449 |
4.237 |
-0.787 |
C2H6O2 |
1,2-Ethanediol |
4.923 |
5.710 |
-0.787 |
C3H7NO |
dimethylformamide |
7.030 |
7.809 |
-0.780 |
C3H7NO |
dimethylformamide |
7.030 |
7.809 |
-0.779 |
SiH4 |
Silane |
3.999 |
4.777 |
-0.779 |
C4H10O |
1-Butanol |
7.803 |
8.570 |
-0.767 |
CH3CN |
Acetonitrile |
3.515 |
4.280 |
-0.765 |
C10H16 |
adamantane |
15.167 |
15.930 |
-0.762 |
C5H11N |
Piperidine |
9.558 |
10.320 |
-0.762 |
HCN |
Hydrogen cyanide |
1.836 |
2.593 |
-0.757 |
CH3CH2COOH |
Propanoic Acid |
6.205 |
6.960 |
-0.756 |
CH3CH(CH3)CH3 |
Isobutane |
7.255 |
8.009 |
-0.755 |
H2O |
Water |
0.776 |
1.501 |
-0.726 |
C4H10O |
2-Butanol, (.+/-.)- |
7.845 |
8.570 |
-0.725 |
CH2CHCH2CH2CH3 |
1-pentene |
8.927 |
9.650 |
-0.723 |
CO2 |
Carbon dioxide |
1.799 |
2.507 |
-0.708 |
C4H6O2 |
2,3-Butanedione |
7.538 |
8.201 |
-0.663 |
CH3CH2CHO |
Propanal |
5.690 |
6.350 |
-0.660 |
C4H6O2 |
2,3-Butanedione |
7.542 |
8.201 |
-0.659 |
C4H6O2 |
2,3-Butanedione |
7.543 |
8.201 |
-0.658 |
CH3CH(CH3)CN |
Propanenitrile, 2-methyl- |
7.393 |
8.049 |
-0.656 |
CH2C(CH3)CH3 |
1-Propene, 2-methyl- |
7.230 |
7.880 |
-0.651 |
C5H5N |
Pyridine |
8.850 |
9.493 |
-0.643 |
O2 |
Oxygen diatomic |
0.919 |
1.562 |
-0.643 |
NO |
Nitric oxide |
1.056 |
1.698 |
-0.642 |
C3H8O3 |
1,2,3-Propanetriol |
7.225 |
7.860 |
-0.635 |
C3H8 |
Propane |
5.293 |
5.921 |
-0.628 |
CH3F |
Methyl fluoride |
1.915 |
2.540 |
-0.625 |
CH3CHO |
Acetaldehyde |
3.655 |
4.278 |
-0.623 |
CHF2Cl |
difluorochloromethane |
3.819 |
4.440 |
-0.620 |
C4H8O2 |
1,4-Dioxane |
7.815 |
8.430 |
-0.615 |
C3H7OH |
1-Propanol |
6.060 |
6.670 |
-0.610 |
C3H7ONO |
Propyl nitrite |
7.894 |
8.500 |
-0.606 |
C2H6 |
Ethane |
3.628 |
4.226 |
-0.598 |
CH3COOCH3 |
methyl acetate |
6.216 |
6.811 |
-0.595 |
CH2CHCH2CH2CH3 |
1-pentene |
9.059 |
9.650 |
-0.590 |
CH3CHCHCH3 |
2-Butene, (E)- |
7.296 |
7.880 |
-0.584 |
C6H5F |
Fluorobenzene |
9.617 |
10.200 |
-0.583 |
CH3COOH |
Acetic acid |
4.567 |
5.149 |
-0.583 |
CHOCHCHCH3 |
2-Butenal |
7.932 |
8.500 |
-0.568 |
C14H10 |
Phenanthrene |
24.212 |
24.779 |
-0.567 |
C4H2 |
Diacetylene |
6.250 |
6.811 |
-0.561 |
C2H6 |
Ethane |
3.674 |
4.226 |
-0.552 |
CH3COCH3 |
Acetone |
5.719 |
6.270 |
-0.550 |
CH2CHCH2CH3 |
1-Butene |
7.280 |
7.830 |
-0.550 |
C6H5OH |
phenol |
10.361 |
10.909 |
-0.549 |
F2 |
Fluorine diatomic |
0.619 |
1.160 |
-0.541 |
C3H5Cl |
1-Propene, 3-chloro- |
6.861 |
7.400 |
-0.539 |
C2H5SC2H5 |
Diethyl sulfide |
10.010 |
10.549 |
-0.539 |
B2H6 |
Diborane |
4.594 |
5.115 |
-0.521 |
C3H7ONO |
Propyl nitrite |
7.984 |
8.500 |
-0.516 |
CO |
Carbon monoxide |
1.443 |
1.953 |
-0.510 |
CH3CHOHCH3 |
Isopropyl alcohol |
6.162 |
6.670 |
-0.508 |
CH3OCHO |
methyl formate |
4.542 |
5.050 |
-0.508 |
C6H5CHCH2 |
Styrene |
13.909 |
14.409 |
-0.500 |
CHONH2 |
formamide |
3.592 |
4.080 |
-0.488 |
CHONH2 |
formamide |
3.592 |
4.080 |
-0.487 |
N2 |
Nitrogen diatomic |
1.229 |
1.710 |
-0.481 |
C4H4O2 |
2-Oxetanone, 4-methylene- |
7.520 |
8.000 |
-0.480 |
CH4 |
Methane |
1.970 |
2.448 |
-0.478 |
C4H4N2O2 |
Uracil |
9.612 |
10.090 |
-0.478 |
CH3NO2 |
Methane, nitro- |
4.337 |
4.800 |
-0.463 |
C6H5Cl |
chlorobenzene |
11.398 |
11.861 |
-0.463 |
C4H5N |
Pyrrole |
7.479 |
7.940 |
-0.461 |
C6H4Cl2 |
1,3-dichlorobenzene |
13.277 |
13.729 |
-0.453 |
C5H9N |
Propanenitrile, 2,2-dimethyl- |
9.154 |
9.591 |
-0.437 |
CH3CONH2 |
Acetamide |
5.236 |
5.670 |
-0.433 |
HF |
Hydrogen fluoride |
0.368 |
0.800 |
-0.432 |
CF3CH2F |
1,1,1,2-tetrafluoroethane |
4.120 |
4.549 |
-0.429 |
HD |
Deuterium hydride |
0.379 |
0.791 |
-0.412 |
CH3NHCH3 |
Dimethylamine |
5.036 |
5.447 |
-0.411 |
H2 |
Hydrogen diatomic |
0.379 |
0.787 |
-0.409 |
SeF6 |
Selenium hexafluoride |
4.912 |
5.320 |
-0.408 |
D2 |
Deuterium diatomic |
0.379 |
0.783 |
-0.404 |
C4H5N |
(E)-2-Butenenitrile |
7.797 |
8.201 |
-0.403 |
GeH4 |
Germane |
4.370 |
4.770 |
-0.400 |
BF3 |
Borane, trifluoro- |
2.037 |
2.420 |
-0.383 |
CH3CF3 |
Ethane, 1,1,1-trifluoro- |
4.018 |
4.400 |
-0.382 |
C3H6O3 |
1,3,5-Trioxane |
6.645 |
7.020 |
-0.375 |
C6H4O2 |
parabenzoquinone |
10.863 |
11.229 |
-0.367 |
C6H5CH3 |
toluene |
11.511 |
11.861 |
-0.350 |
SiF4 |
Silicon tetrafluoride |
2.975 |
3.319 |
-0.345 |
O2 |
Oxygen diatomic |
1.222 |
1.562 |
-0.339 |
O2 |
Oxygen diatomic |
1.222 |
1.562 |
-0.339 |
C2H5F |
fluoroethane |
3.831 |
4.164 |
-0.333 |
F2SO |
Thionyl Fluoride |
3.608 |
3.927 |
-0.319 |
C6H5NH2 |
aniline |
11.262 |
11.581 |
-0.319 |
CF4 |
Carbon tetrafluoride |
2.529 |
2.824 |
-0.295 |
C3F8 |
perfluoropropane |
6.260 |
6.525 |
-0.264 |
C2F6 |
hexafluoroethane |
4.412 |
4.668 |
-0.255 |
C4H4S |
Thiophene |
8.757 |
9.010 |
-0.253 |
FCN |
Cyanogen fluoride |
2.337 |
2.550 |
-0.213 |
N(CH3)3 |
Trimethylamine |
6.904 |
7.076 |
-0.172 |
CH3COCH3 |
Acetone |
6.113 |
6.270 |
-0.157 |
H2+ |
Hydrogen cation |
0.337 |
0.469 |
-0.132 |
C6H5NO2 |
Nitrobenzene |
12.149 |
12.259 |
-0.110 |
C3H2N2 |
Malononitrile |
5.786 |
5.790 |
-0.004 |
C24H12 |
Coronene |
42.544 |
42.499 |
0.045 |
CO |
Carbon monoxide |
2.019 |
1.953 |
0.066 |
C5H8 |
Spiropentane |
8.150 |
8.049 |
0.100 |
C6H5CN |
phenyl cyanide |
12.103 |
11.981 |
0.122 |
C5H12 |
Butane, 2-methyl- |
8.932 |
8.770 |
0.162 |
N2 |
Nitrogen diatomic |
1.880 |
1.710 |
0.170 |
C6F6 |
hexafluorobenzene |
9.971 |
9.580 |
0.390 |
B3N3H6 |
borazine |
8.503 |
8.000 |
0.502 |
C12H10 |
biphenyl |
20.295 |
19.640 |
0.655 |
C10H8 |
Azulene |
18.655 |
15.520 |
3.135 |
C10H8 |
Azulene |
18.661 |
15.520 |
3.141 |
CaO |
Calcium monoxide |
6.101 |
2.841 |
3.260 |
MgO |
magnesium oxide |
8.215 |
1.750 |
6.465 |