species |
name |
calculated |
experimental |
difference |
C4H8O2 |
Butanoic acid |
9.408 |
|
|
NaLi |
lithium sodium |
31.909 |
39.999 |
-8.091 |
Li |
Lithium atom |
20.918 |
24.330 |
-3.412 |
Li |
Lithium atom |
20.918 |
24.330 |
-3.412 |
Na |
Sodium atom |
21.100 |
24.110 |
-3.009 |
Na |
Sodium atom |
21.100 |
24.110 |
-3.009 |
ClF3 |
Chlorine trifluoride |
4.697 |
7.483 |
-2.786 |
SiH3Cl |
chlorosilane |
6.664 |
9.113 |
-2.449 |
SiH3Cl |
chlorosilane |
6.664 |
9.113 |
-2.449 |
ClF3 |
Chlorine trifluoride |
5.173 |
7.483 |
-2.310 |
CH3CHClCH2CH3 |
Butane, 2-chloro- |
10.527 |
12.499 |
-1.972 |
BeH2 |
beryllium dihydride |
3.192 |
4.340 |
-1.149 |
BeH2 |
beryllium dihydride |
3.192 |
4.340 |
-1.149 |
CH2ClCH2CH2CH3 |
Butane, 1-chloro- |
10.629 |
11.301 |
-0.671 |
CS2 |
Carbon disulfide |
8.298 |
8.749 |
-0.451 |
CS2 |
Carbon disulfide |
8.299 |
8.749 |
-0.449 |
C5H12O |
1-Pentanol |
11.247 |
11.581 |
-0.334 |
O3 |
Ozone |
2.823 |
3.079 |
-0.257 |
O3 |
Ozone |
2.823 |
3.079 |
-0.257 |
HBr |
hydrogen bromide |
3.428 |
3.616 |
-0.188 |
HBr |
hydrogen bromide |
3.428 |
3.616 |
-0.188 |
PF3 |
Phosphorus trifluoride |
4.252 |
4.414 |
-0.163 |
BCl3 |
Borane, trichloro- |
8.544 |
8.700 |
-0.156 |
BCl3 |
Borane, trichloro- |
8.544 |
8.700 |
-0.156 |
BrCN |
Cyanogen bromide |
5.669 |
5.824 |
-0.154 |
BrCN |
Cyanogen bromide |
5.669 |
5.824 |
-0.154 |
Ar |
Argon atom |
1.522 |
1.664 |
-0.142 |
Cl |
Chlorine atom |
2.041 |
2.180 |
-0.139 |
Cl |
Chlorine atom |
2.041 |
2.180 |
-0.139 |
Cl |
Chlorine atom |
2.041 |
2.180 |
-0.139 |
H2Se |
Hydrogen selenide |
4.644 |
4.770 |
-0.127 |
O |
Oxygen atom |
0.708 |
0.802 |
-0.094 |
O |
Oxygen atom |
0.708 |
0.802 |
-0.094 |
F |
Fluorine atom |
0.468 |
0.557 |
-0.089 |
F |
Fluorine atom |
0.468 |
0.557 |
-0.089 |
Cl2 |
Chlorine diatomic |
4.534 |
4.610 |
-0.076 |
Cl2 |
Chlorine diatomic |
4.534 |
4.610 |
-0.076 |
NO2 |
Nitrogen dioxide |
2.840 |
2.910 |
-0.070 |
NO2 |
Nitrogen dioxide |
2.840 |
2.910 |
-0.070 |
NO2 |
Nitrogen dioxide |
2.840 |
2.910 |
-0.070 |
Ne |
Neon atom |
0.318 |
0.381 |
-0.063 |
C2H3Cl |
Ethene, chloro- |
6.364 |
6.410 |
-0.046 |
CH3Br |
methyl bromide |
5.564 |
5.610 |
-0.046 |
CH3Br |
methyl bromide |
5.564 |
5.610 |
-0.046 |
N2O |
Nitrous oxide |
2.975 |
2.998 |
-0.023 |
N2O |
Nitrous oxide |
2.975 |
2.998 |
-0.023 |
N2O |
Nitrous oxide |
2.975 |
2.998 |
-0.023 |
O2 |
Oxygen diatomic |
1.541 |
1.562 |
-0.021 |
O2 |
Oxygen diatomic |
1.542 |
1.562 |
-0.020 |
O2 |
Oxygen diatomic |
1.542 |
1.562 |
-0.020 |
N |
Nitrogen atom |
1.085 |
1.100 |
-0.015 |
N |
Nitrogen atom |
1.086 |
1.100 |
-0.014 |
H2+ |
Hydrogen cation |
0.459 |
0.469 |
-0.011 |
CH2Cl2 |
Methylene chloride |
6.657 |
6.659 |
-0.003 |
HCl |
Hydrogen chloride |
2.513 |
2.515 |
-0.002 |
CH2Cl2 |
Methylene chloride |
6.658 |
6.659 |
-0.002 |
HCl |
Hydrogen chloride |
2.513 |
2.515 |
-0.001 |
HCl |
Hydrogen chloride |
2.513 |
2.515 |
-0.001 |
AsH3 |
Arsine |
5.470 |
5.468 |
0.002 |
CH3CH2Cl |
Ethyl chloride |
6.601 |
6.590 |
0.011 |
H2O |
Water |
1.513 |
1.501 |
0.012 |
H2O |
Water |
1.513 |
1.501 |
0.012 |
HCN |
Hydrogen cyanide |
2.615 |
2.593 |
0.022 |
HCN |
Hydrogen cyanide |
2.615 |
2.593 |
0.022 |
HCN |
Hydrogen cyanide |
2.615 |
2.593 |
0.022 |
HF |
Hydrogen fluoride |
0.824 |
0.800 |
0.024 |
HF |
Hydrogen fluoride |
0.824 |
0.800 |
0.024 |
F2 |
Fluorine diatomic |
1.187 |
1.160 |
0.026 |
F2 |
Fluorine diatomic |
1.187 |
1.160 |
0.026 |
H2CO |
Formaldehyde |
2.799 |
2.770 |
0.030 |
H2CO |
Formaldehyde |
2.800 |
2.770 |
0.030 |
H2CO |
Formaldehyde |
2.800 |
2.770 |
0.030 |
NO |
Nitric oxide |
1.731 |
1.698 |
0.032 |
NO |
Nitric oxide |
1.731 |
1.698 |
0.032 |
NO |
Nitric oxide |
1.731 |
1.698 |
0.032 |
H |
Hydrogen atom |
0.708 |
0.667 |
0.042 |
H |
Hydrogen atom |
0.708 |
0.667 |
0.042 |
C2H4S |
Thiirane |
6.954 |
6.910 |
0.044 |
C2H4S |
Thiirane |
6.954 |
6.910 |
0.044 |
OCS |
Carbonyl sulfide |
5.135 |
5.090 |
0.045 |
H2S |
Hydrogen sulfide |
3.676 |
3.631 |
0.045 |
H2S |
Hydrogen sulfide |
3.676 |
3.631 |
0.045 |
H2S |
Hydrogen sulfide |
3.676 |
3.631 |
0.045 |
HD |
Deuterium hydride |
0.838 |
0.791 |
0.047 |
OCS |
Carbonyl sulfide |
5.139 |
5.090 |
0.049 |
H2 |
Hydrogen diatomic |
0.838 |
0.787 |
0.050 |
H2 |
Hydrogen diatomic |
0.838 |
0.787 |
0.050 |
CH2CO |
Ketene |
4.454 |
4.400 |
0.054 |
CH2CO |
Ketene |
4.454 |
4.400 |
0.055 |
D2 |
Deuterium diatomic |
0.838 |
0.783 |
0.055 |
CO |
Carbon monoxide |
2.011 |
1.953 |
0.058 |
CO |
Carbon monoxide |
2.011 |
1.953 |
0.058 |
C |
Carbon atom |
1.820 |
1.760 |
0.060 |
C |
Carbon atom |
1.820 |
1.760 |
0.060 |
CH2F2 |
Methane, difluoro- |
2.829 |
2.761 |
0.068 |
CH2F2 |
Methane, difluoro- |
2.829 |
2.761 |
0.068 |
CH2CHCHCH2 |
1,3-Butadiene |
8.954 |
8.881 |
0.073 |
C2H2 |
Acetylene |
3.576 |
3.487 |
0.089 |
C2H2 |
Acetylene |
3.576 |
3.487 |
0.089 |
CH3Cl |
Methyl chloride |
4.517 |
4.416 |
0.101 |
CH3Cl |
Methyl chloride |
4.517 |
4.416 |
0.101 |
CH3Cl |
Methyl chloride |
4.517 |
4.416 |
0.101 |
C3H6 |
Cyclopropane |
5.747 |
5.640 |
0.107 |
C3H6 |
Cyclopropane |
5.747 |
5.640 |
0.107 |
C2H4O |
Ethylene oxide |
4.543 |
4.431 |
0.112 |
C2H4O |
Ethylene oxide |
4.543 |
4.431 |
0.113 |
N2 |
Nitrogen diatomic |
1.824 |
1.710 |
0.114 |
N2 |
Nitrogen diatomic |
1.824 |
1.710 |
0.114 |
N2 |
Nitrogen diatomic |
1.824 |
1.710 |
0.114 |
N2 |
Nitrogen diatomic |
1.824 |
1.710 |
0.114 |
CO2 |
Carbon dioxide |
2.623 |
2.507 |
0.116 |
CO2 |
Carbon dioxide |
2.623 |
2.507 |
0.116 |
CO2 |
Carbon dioxide |
2.623 |
2.507 |
0.116 |
Br2 |
Bromine diatomic |
6.555 |
6.431 |
0.124 |
C2H4 |
Ethylene |
4.314 |
4.188 |
0.126 |
C2H4 |
Ethylene |
4.315 |
4.188 |
0.127 |
C2H4 |
Ethylene |
4.315 |
4.188 |
0.127 |
C5H12 |
Propane, 2,2-dimethyl- |
10.382 |
10.240 |
0.143 |
CH2FCH2Cl |
Ethane, 1-chloro-2-fluoro- |
6.650 |
6.499 |
0.150 |
CH3F |
Methyl fluoride |
2.693 |
2.540 |
0.153 |
CH3F |
Methyl fluoride |
2.693 |
2.540 |
0.153 |
CH3F |
Methyl fluoride |
2.693 |
2.540 |
0.153 |
NH3 |
Ammonia |
2.259 |
2.103 |
0.156 |
NH3 |
Ammonia |
2.259 |
2.103 |
0.156 |
NH3 |
Ammonia |
2.259 |
2.103 |
0.156 |
BF3 |
Borane, trifluoro- |
2.578 |
2.420 |
0.159 |
CH2FCH2Cl |
Ethane, 1-chloro-2-fluoro- |
6.668 |
6.499 |
0.169 |
CHF3 |
Methane, trifluoro- |
2.976 |
2.801 |
0.175 |
CHF3 |
Methane, trifluoro- |
2.976 |
2.801 |
0.176 |
B2H6 |
Diborane |
5.294 |
5.115 |
0.178 |
B2H6 |
Diborane |
5.295 |
5.115 |
0.179 |
B2H6 |
Diborane |
5.295 |
5.115 |
0.179 |
C2N2 |
Cyanogen |
5.198 |
5.015 |
0.183 |
C2N2 |
Cyanogen |
5.198 |
5.015 |
0.183 |
CH3OH |
Methyl alcohol |
3.395 |
3.210 |
0.185 |
CH3OH |
Methyl alcohol |
3.395 |
3.210 |
0.185 |
CH3OH |
Methyl alcohol |
3.395 |
3.210 |
0.185 |
CH3CCH |
propyne |
5.746 |
5.550 |
0.196 |
CH3CCH |
propyne |
5.746 |
5.550 |
0.196 |
CH4 |
Methane |
2.648 |
2.448 |
0.200 |
CH4 |
Methane |
2.648 |
2.448 |
0.200 |
CH4 |
Methane |
2.648 |
2.448 |
0.200 |
NF3 |
Nitrogen trifluoride |
3.029 |
2.810 |
0.219 |
NF3 |
Nitrogen trifluoride |
3.029 |
2.810 |
0.219 |
SiH4 |
Silane |
5.006 |
4.777 |
0.229 |
SiH4 |
Silane |
5.007 |
4.777 |
0.229 |
SiH4 |
Silane |
5.007 |
4.777 |
0.229 |
CH2Br2 |
dibromomethane |
8.910 |
8.680 |
0.230 |
CH2Br2 |
dibromomethane |
8.910 |
8.680 |
0.230 |
CCl2O |
Phosgene |
7.021 |
6.790 |
0.231 |
SO2 |
Sulfur dioxide |
4.115 |
3.882 |
0.232 |
SO2 |
Sulfur dioxide |
4.115 |
3.882 |
0.233 |
CF4 |
Carbon tetrafluoride |
3.064 |
2.824 |
0.240 |
CH3CH2OH |
Ethanol |
5.365 |
5.112 |
0.253 |
CH3CH2OH |
Ethanol |
5.366 |
5.112 |
0.253 |
CH3SCH3 |
Dimethyl sulfide |
7.803 |
7.550 |
0.253 |
CH3SCH3 |
Dimethyl sulfide |
7.803 |
7.550 |
0.253 |
P |
Phosphorus atom |
3.884 |
3.630 |
0.254 |
N2H4 |
Hydrazine |
3.720 |
3.460 |
0.260 |
N2H4 |
Hydrazine |
3.720 |
3.460 |
0.260 |
HCOOH |
Formic acid |
3.589 |
3.319 |
0.269 |
HCOOH |
Formic acid |
3.589 |
3.319 |
0.269 |
HCOOH |
Formic acid |
3.589 |
3.319 |
0.270 |
C5H10 |
Cyclopentane |
9.444 |
9.170 |
0.275 |
C5H10 |
Cyclopentane |
9.444 |
9.170 |
0.275 |
B |
Boron atom |
3.306 |
3.030 |
0.276 |
B |
Boron atom |
3.306 |
3.030 |
0.276 |
CH3OCH3 |
Dimethyl ether |
5.455 |
5.160 |
0.295 |
CH3OCH3 |
Dimethyl ether |
5.455 |
5.160 |
0.295 |
C6H12 |
Cyclohexane |
11.298 |
11.000 |
0.298 |
CF3Cl |
Methane, chlorotrifluoro- |
4.951 |
4.650 |
0.301 |
CF3Cl |
Methane, chlorotrifluoro- |
4.951 |
4.650 |
0.301 |
CH2CHCHO |
Acrolein |
6.685 |
6.379 |
0.306 |
C2H6 |
Ethane |
4.542 |
4.226 |
0.315 |
C2H6 |
Ethane |
4.542 |
4.226 |
0.315 |
C2H6 |
Ethane |
4.542 |
4.226 |
0.316 |
CH3NO2 |
Methane, nitro- |
5.117 |
4.800 |
0.317 |
CH3NO2 |
Methane, nitro- |
5.117 |
4.800 |
0.317 |
CH3CH2NH2 |
Ethylamine |
6.201 |
5.870 |
0.332 |
CH3COOH |
Acetic acid |
5.482 |
5.149 |
0.332 |
CH3CH(NH2)CH3 |
2-Propanamine |
8.112 |
7.769 |
0.343 |
CHClCHCl |
Ethene, 1,2-dichloro-, (Z)- |
8.376 |
8.030 |
0.346 |
C2H5CN |
ethyl cyanide |
6.586 |
6.240 |
0.346 |
CH3CN |
Acetonitrile |
4.632 |
4.280 |
0.353 |
CH3CN |
Acetonitrile |
4.633 |
4.280 |
0.353 |
CF3Br |
Bromotrifluoromethane |
6.011 |
5.650 |
0.360 |
CH3CH2SH |
ethanethiol |
7.749 |
7.380 |
0.369 |
CH3CH2SH |
ethanethiol |
7.749 |
7.380 |
0.369 |
HCOOH |
Formic acid |
3.694 |
3.319 |
0.375 |
CH3NH2 |
methyl amine |
4.131 |
3.754 |
0.377 |
CH3NH2 |
methyl amine |
4.131 |
3.754 |
0.377 |
CH3NH2 |
methyl amine |
4.131 |
3.754 |
0.378 |
C2H6O2 |
1,2-Ethanediol |
6.092 |
5.710 |
0.382 |
CH3CH2CHO |
Propanal |
6.732 |
6.350 |
0.382 |
N2O4 |
Dinitrogen tetroxide |
6.878 |
6.495 |
0.383 |
CH3CH2CHO |
Propanal |
6.733 |
6.350 |
0.383 |
N2O4 |
Dinitrogen tetroxide |
6.879 |
6.495 |
0.384 |
NH2CH2CH2CH3 |
1-Propanamine |
8.090 |
7.700 |
0.390 |
CH3CF3 |
Ethane, 1,1,1-trifluoro- |
4.792 |
4.400 |
0.392 |
CH2CHCH3 |
Propene |
6.385 |
5.990 |
0.395 |
CH2CHCH3 |
Propene |
6.386 |
5.990 |
0.396 |
C4H4O |
Furan |
7.626 |
7.230 |
0.396 |
C4H4O |
Furan |
7.628 |
7.230 |
0.398 |
PCl3 |
Phosphorus trichloride |
11.047 |
10.634 |
0.413 |
CHONH2 |
formamide |
4.500 |
4.080 |
0.421 |
C3H8O2 |
Methane, dimethoxy- |
8.121 |
7.700 |
0.421 |
CH3OCHO |
methyl formate |
5.477 |
5.050 |
0.427 |
CH3CH2CH2CH3 |
Butane |
8.457 |
8.020 |
0.437 |
CH3CH2CH2CH3 |
Butane |
8.457 |
8.020 |
0.438 |
C3H4N2 |
1H-Pyrazole |
7.668 |
7.230 |
0.438 |
CH3CH2SH |
ethanethiol |
7.821 |
7.380 |
0.441 |
CH3CH(CH3)CH3 |
Isobutane |
8.457 |
8.009 |
0.448 |
CH3CH(CH3)CH3 |
Isobutane |
8.457 |
8.009 |
0.448 |
CH3COCH2CH3 |
2-Butanone |
8.645 |
8.190 |
0.455 |
C2H5Br |
Ethyl bromide |
7.744 |
7.280 |
0.463 |
CH2CHCHO |
Acrolein |
6.847 |
6.379 |
0.468 |
CF3CHF2 |
pentafluoroethane |
5.094 |
4.623 |
0.471 |
C5H5N |
Pyridine |
9.965 |
9.493 |
0.472 |
CHCl2CHF2 |
1,1-dichloro-2,2-difluoroethane |
8.873 |
8.401 |
0.473 |
Si2H6 |
disilane |
9.884 |
9.410 |
0.474 |
Si2H6 |
disilane |
9.884 |
9.410 |
0.474 |
CH2ClCH2OH |
2-Chloroethanol |
7.356 |
6.880 |
0.476 |
CHBr3 |
bromoform |
12.318 |
11.840 |
0.478 |
SO3 |
Sulfur trioxide |
4.779 |
4.297 |
0.482 |
SO3 |
Sulfur trioxide |
4.780 |
4.297 |
0.483 |
PH3 |
Phosphine |
4.721 |
4.237 |
0.485 |
PH3 |
Phosphine |
4.721 |
4.237 |
0.485 |
PH3 |
Phosphine |
4.722 |
4.237 |
0.485 |
CHClCHCl |
Ethene, 1,2-dichloro-, (E)- |
8.644 |
8.150 |
0.494 |
C5H10 |
2-Pentene, (E)- |
10.335 |
9.839 |
0.495 |
CH2C(CH3)CH3 |
1-Propene, 2-methyl- |
8.384 |
7.880 |
0.503 |
CHOCH2CH2CH3 |
Butanal |
8.692 |
8.180 |
0.512 |
CH3SH |
Methanethiol |
5.704 |
5.186 |
0.517 |
CH3SH |
Methanethiol |
5.705 |
5.186 |
0.519 |
CH3SH |
Methanethiol |
5.705 |
5.186 |
0.519 |
CH3COCH3 |
Acetone |
6.790 |
6.270 |
0.520 |
CH3COCH3 |
Acetone |
6.790 |
6.270 |
0.520 |
SiF4 |
Silicon tetrafluoride |
3.840 |
3.319 |
0.521 |
C2H8N2 |
Ethylenediamine |
7.722 |
7.200 |
0.522 |
AsCl3 |
Arsenous trichloride |
11.895 |
11.370 |
0.525 |
CH3CCCH3 |
2-Butyne |
8.024 |
7.480 |
0.544 |
C4H10O |
Methyl propyl ether |
9.405 |
8.860 |
0.545 |
C5H12 |
Pentane |
10.434 |
9.879 |
0.554 |
GeF4 |
Germanium tetrafluoride |
4.604 |
4.050 |
0.555 |
CF2Cl2 |
difluorodichloromethane |
6.935 |
6.370 |
0.565 |
CF2Cl2 |
difluorodichloromethane |
6.936 |
6.370 |
0.566 |
C5H10O |
3-Pentanone |
10.501 |
9.930 |
0.571 |
C5H10O |
3-Pentanone |
10.501 |
9.930 |
0.571 |
C3H8 |
Propane |
6.494 |
5.921 |
0.572 |
C3H8 |
Propane |
6.494 |
5.921 |
0.572 |
C3H8 |
Propane |
6.494 |
5.921 |
0.573 |
C2F6 |
hexafluoroethane |
5.241 |
4.668 |
0.573 |
CH3CHCl2 |
Ethane, 1,1-dichloro- |
8.735 |
8.161 |
0.574 |
C3H7OH |
1-Propanol |
7.253 |
6.670 |
0.583 |
CH2CHCH2CH3 |
1-Butene |
8.420 |
7.830 |
0.590 |
HCOOC2H5 |
Ethyl formate |
7.482 |
6.880 |
0.602 |
CH3CHCHCH3 |
2-Butene, (E)- |
8.485 |
7.880 |
0.604 |
CH3COOCH3 |
methyl acetate |
7.427 |
6.811 |
0.616 |
C4H5N |
Pyrrole |
8.556 |
7.940 |
0.616 |
C4H5N |
Pyrrole |
8.556 |
7.940 |
0.616 |
CH2CCl2 |
Ethene, 1,1-dichloro- |
8.447 |
7.830 |
0.617 |
C6H5F |
Fluorobenzene |
10.819 |
10.200 |
0.619 |
CH3CHO |
Acetaldehyde |
4.901 |
4.278 |
0.623 |
CH3CHO |
Acetaldehyde |
4.902 |
4.278 |
0.624 |
C3H4N2 |
1H-Imidazole |
7.723 |
7.090 |
0.633 |
C3H4N2 |
1H-Imidazole |
7.724 |
7.090 |
0.634 |
CH2ClCHCl2 |
1,1,2-trichloroethane |
10.899 |
10.260 |
0.639 |
C2H6O2S |
Dimethyl sulfone |
9.042 |
8.401 |
0.642 |
C2H6O2S |
Dimethyl sulfone |
9.042 |
8.401 |
0.642 |
C4H10O |
2-Butanol, (.+/-.)- |
9.220 |
8.570 |
0.650 |
CH3CHOHCH3 |
Isopropyl alcohol |
7.339 |
6.670 |
0.669 |
C5H11N |
Piperidine |
10.992 |
10.320 |
0.673 |
C5H11Cl |
Pentane, 1-chloro- |
12.680 |
12.000 |
0.680 |
CH2CCH2 |
allene |
6.371 |
5.690 |
0.681 |
CH2CCH2 |
allene |
6.372 |
5.690 |
0.682 |
C4H4O2 |
2-Oxetanone, 4-methylene- |
8.683 |
8.000 |
0.683 |
CH3CONH2 |
Acetamide |
6.367 |
5.670 |
0.697 |
CHOCHCHCH3 |
2-Butenal |
9.197 |
8.500 |
0.697 |
CFCl3 |
Trichloromonofluoromethane |
8.949 |
8.249 |
0.699 |
CH3CCl(CH3)CH3 |
Propane, 2-chloro-2-methyl- |
10.581 |
9.879 |
0.702 |
CHCl3 |
Chloroform |
8.838 |
8.129 |
0.708 |
CHCl3 |
Chloroform |
8.839 |
8.129 |
0.709 |
CH3CCl3 |
Ethane, 1,1,1-trichloro- |
10.833 |
10.120 |
0.714 |
Be |
Beryllium atom |
6.322 |
5.600 |
0.722 |
Be |
Beryllium atom |
6.322 |
5.600 |
0.722 |
CH3NHCH3 |
Dimethylamine |
6.196 |
5.447 |
0.749 |
C4H10O |
Ethoxy ethane |
9.486 |
8.730 |
0.756 |
C4H10O |
Ethoxy ethane |
9.487 |
8.730 |
0.757 |
N2 |
Nitrogen diatomic |
2.473 |
1.710 |
0.763 |
C5H12O |
Propane, 1-ethoxy- |
11.447 |
10.680 |
0.768 |
GeH4 |
Germane |
5.539 |
4.770 |
0.768 |
C5H11N |
Piperidine |
11.089 |
10.320 |
0.770 |
GeH4 |
Germane |
5.542 |
4.770 |
0.772 |
P4 |
Phosphorus tetramer |
14.381 |
13.589 |
0.793 |
C4H5N |
(E)-2-Butenenitrile |
9.002 |
8.201 |
0.802 |
C4H8O2 |
1,4-Dioxane |
9.234 |
8.430 |
0.804 |
C6H14 |
Hexane |
12.435 |
11.630 |
0.805 |
PF5 |
Phosphorus pentafluoride |
4.465 |
3.650 |
0.815 |
PF5 |
Phosphorus pentafluoride |
4.465 |
3.650 |
0.815 |
C6H6 |
Benzene |
10.777 |
9.959 |
0.818 |
C6H6 |
Benzene |
10.778 |
9.959 |
0.819 |
C4H8O2 |
Ethyl acetate |
9.444 |
8.620 |
0.824 |
C5H9N |
Propanenitrile, 2,2-dimethyl- |
10.420 |
9.591 |
0.829 |
C6H5OH |
phenol |
11.743 |
10.909 |
0.834 |
C3H6O3 |
1,3,5-Trioxane |
7.869 |
7.020 |
0.849 |
C3H6O3 |
1,3,5-Trioxane |
7.869 |
7.020 |
0.849 |
SF6 |
Sulfur Hexafluoride |
5.346 |
4.490 |
0.856 |
SF6 |
Sulfur Hexafluoride |
5.346 |
4.490 |
0.856 |
C3H8O3 |
1,2,3-Propanetriol |
8.717 |
7.860 |
0.857 |
C6H5CHO |
benzaldehyde |
13.665 |
12.800 |
0.865 |
C6H5CHO |
benzaldehyde |
13.667 |
12.800 |
0.867 |
CH2ClCH2Cl |
Ethane, 1,2-dichloro- |
8.874 |
8.000 |
0.873 |
CH3SOCH3 |
Dimethyl sulfoxide |
8.850 |
7.969 |
0.881 |
As4 |
Arsenic tetramer |
18.220 |
17.293 |
0.927 |
C3H2N2 |
Malononitrile |
6.720 |
5.790 |
0.930 |
CHClCCl2 |
Trichloroethylene |
10.687 |
9.751 |
0.936 |
C6H10 |
1-Hexyne |
11.844 |
10.900 |
0.944 |
CCl4 |
Carbon tetrachloride |
10.956 |
10.002 |
0.953 |
CCl4 |
Carbon tetrachloride |
10.958 |
10.002 |
0.956 |
C4H2 |
Diacetylene |
7.787 |
6.811 |
0.976 |
C4H2 |
Diacetylene |
7.787 |
6.811 |
0.976 |
C4H4S |
Thiophene |
9.987 |
9.010 |
0.977 |
SiCl4 |
Silane, tetrachloro- |
12.247 |
11.269 |
0.977 |
C10H16 |
adamantane |
16.966 |
15.930 |
1.036 |
C6H5CH3 |
toluene |
12.956 |
11.861 |
1.096 |
C3F6 |
hexafluoropropene |
6.975 |
5.838 |
1.136 |
C6H5NH2 |
aniline |
12.799 |
11.581 |
1.218 |
C6H5Cl |
chlorobenzene |
13.102 |
11.861 |
1.242 |
C5H8 |
Spiropentane |
9.291 |
8.049 |
1.242 |
N(CH3)3 |
Trimethylamine |
8.374 |
7.076 |
1.298 |
C6H5CHCH2 |
Styrene |
15.795 |
14.409 |
1.386 |
C10H8 |
naphthalene |
18.821 |
17.400 |
1.421 |
C10H8 |
naphthalene |
18.821 |
17.400 |
1.421 |
C2H5SC2H5 |
Diethyl sulfide |
11.983 |
10.549 |
1.433 |
C5H12 |
Butane, 2-methyl- |
10.343 |
8.770 |
1.573 |
C6H5NO2 |
Nitrobenzene |
13.865 |
12.259 |
1.606 |
MgO |
magnesium oxide |
8.025 |
1.750 |
6.274 |