species |
name |
calculated |
experimental |
difference |
C4H8O2 |
Butanoic acid |
8.406 |
|
|
ClF3 |
Chlorine trifluoride |
3.489 |
7.483 |
-3.994 |
ClF3 |
Chlorine trifluoride |
3.979 |
7.483 |
-3.504 |
SiH3Cl |
chlorosilane |
5.798 |
9.113 |
-3.315 |
CH3CHClCH2CH3 |
Butane, 2-chloro- |
9.396 |
12.499 |
-3.104 |
CH2ClCH2CH3 |
Propane, 1-chloro- |
7.470 |
10.000 |
-2.530 |
CH2ClCH2CH3 |
Propane, 1-chloro- |
7.558 |
10.000 |
-2.442 |
C6H5Br |
bromobenzene |
12.603 |
14.700 |
-2.097 |
CSe2 |
Carbon diselenide |
9.389 |
11.269 |
-1.880 |
CH2ClCH2CH2CH3 |
Butane, 1-chloro- |
9.448 |
11.301 |
-1.852 |
CS2 |
Carbon disulfide |
7.007 |
8.749 |
-1.742 |
PBr3 |
Phosphorus tribromide |
12.804 |
14.380 |
-1.575 |
CH2CHCHCH2 |
1,3-Butadiene |
7.318 |
8.881 |
-1.563 |
PCl3 |
Phosphorus trichloride |
9.108 |
10.634 |
-1.525 |
CHBr3 |
bromoform |
10.358 |
11.840 |
-1.482 |
BeH2 |
beryllium dihydride |
2.910 |
4.340 |
-1.431 |
BCl3 |
Borane, trichloro- |
7.297 |
8.700 |
-1.403 |
Cl2CS |
Thiophosgene |
8.227 |
9.573 |
-1.346 |
C5H12O |
1-Pentanol |
10.242 |
11.581 |
-1.339 |
HCCCl |
Chloroacetylene |
4.761 |
6.070 |
-1.309 |
CH2Br2 |
dibromomethane |
7.394 |
8.680 |
-1.286 |
C2H3Br |
vinyl bromide |
6.310 |
7.590 |
-1.280 |
CH2Cl2 |
Methylene chloride |
5.385 |
6.659 |
-1.275 |
TiCl4 |
Titanium tetrachloride |
13.770 |
15.001 |
-1.230 |
Cl2 |
Chlorine diatomic |
3.423 |
4.610 |
-1.188 |
CH2ClCHCl2 |
1,1,2-trichloroethane |
9.101 |
10.260 |
-1.159 |
Br2 |
Bromine diatomic |
5.316 |
6.431 |
-1.115 |
H2Se |
Hydrogen selenide |
3.658 |
4.770 |
-1.112 |
GeCl4 |
Germanium Tetrachloride |
11.396 |
12.490 |
-1.095 |
CHFCl2 |
fluorodichloromethane |
5.521 |
6.611 |
-1.090 |
CH2CHCHCH2 |
1,3-Butadiene |
7.812 |
8.881 |
-1.068 |
BrCN |
Cyanogen bromide |
4.763 |
5.824 |
-1.061 |
C2H3Cl |
Ethene, chloro- |
5.351 |
6.410 |
-1.060 |
CCl2O |
Phosgene |
5.752 |
6.790 |
-1.038 |
CCl3CHO |
trichloroacetaldehyde |
9.476 |
10.500 |
-1.025 |
PF3 |
Phosphorus trifluoride |
3.395 |
4.414 |
-1.020 |
HBr |
hydrogen bromide |
2.596 |
3.616 |
-1.019 |
CHClCHCl |
Ethene, 1,2-dichloro-, (Z)- |
7.019 |
8.030 |
-1.011 |
C2H4S |
Thiirane |
5.906 |
6.910 |
-1.003 |
CH3Br |
methyl bromide |
4.609 |
5.610 |
-1.001 |
CCl4 |
Carbon tetrachloride |
9.007 |
10.002 |
-0.995 |
CFCl3 |
Trichloromonofluoromethane |
7.278 |
8.249 |
-0.972 |
CH3CHBrCH3 |
i-propyl bromide |
8.629 |
9.600 |
-0.971 |
SiCl4 |
Silane, tetrachloro- |
10.302 |
11.269 |
-0.968 |
C16H10 |
Pyrene |
28.761 |
29.720 |
-0.958 |
CH3CCl3 |
Ethane, 1,1,1-trichloro- |
9.168 |
10.120 |
-0.952 |
O3 |
Ozone |
2.128 |
3.079 |
-0.951 |
CHCl3 |
Chloroform |
7.186 |
8.129 |
-0.944 |
CH3CH2Cl |
Ethyl chloride |
5.662 |
6.590 |
-0.928 |
P4 |
Phosphorus tetramer |
12.670 |
13.589 |
-0.918 |
(CH3)3CC(CH3)3 |
tetramethylbutane |
14.698 |
15.610 |
-0.912 |
(CH3)3CC(CH3)3 |
tetramethylbutane |
14.707 |
15.610 |
-0.903 |
P |
Phosphorus atom |
2.741 |
3.630 |
-0.889 |
N2O4 |
Dinitrogen tetroxide |
5.631 |
6.495 |
-0.864 |
CHClCHCl |
Ethene, 1,2-dichloro-, (E)- |
7.296 |
8.150 |
-0.854 |
OCS |
Carbonyl sulfide |
4.243 |
5.090 |
-0.847 |
CH3SCH3 |
Dimethyl sulfide |
6.721 |
7.550 |
-0.829 |
H2S |
Hydrogen sulfide |
2.804 |
3.631 |
-0.826 |
CH2ClCH2Cl |
Ethane, 1,2-dichloro- |
7.189 |
8.000 |
-0.812 |
BBr3 |
Boron tribromide |
10.542 |
11.351 |
-0.809 |
CF2Cl2 |
difluorodichloromethane |
5.573 |
6.370 |
-0.797 |
CF3Br |
Bromotrifluoromethane |
4.867 |
5.650 |
-0.783 |
CH3CHCl2 |
Ethane, 1,1-dichloro- |
7.379 |
8.161 |
-0.782 |
C2H6O2S |
Dimethyl sulfone |
7.641 |
8.401 |
-0.760 |
CHClCCl2 |
Trichloroethylene |
8.998 |
9.751 |
-0.752 |
HCl |
Hydrogen chloride |
1.782 |
2.515 |
-0.732 |
CH3CH2SH |
ethanethiol |
6.655 |
7.380 |
-0.725 |
CH2CCl2 |
Ethene, 1,1-dichloro- |
7.108 |
7.830 |
-0.722 |
CF3Cl |
Methane, chlorotrifluoro- |
3.928 |
4.650 |
-0.722 |
CH3Cl |
Methyl chloride |
3.703 |
4.416 |
-0.713 |
CH2CO |
Ketene |
3.703 |
4.400 |
-0.696 |
CH2FCl |
fluorochloromethane |
3.815 |
4.509 |
-0.694 |
AsH3 |
Arsine |
4.775 |
5.468 |
-0.693 |
C5H5N |
Pyridine |
8.804 |
9.493 |
-0.689 |
NO2 |
Nitrogen dioxide |
2.232 |
2.910 |
-0.678 |
C5H12 |
Propane, 2,2-dimethyl- |
9.579 |
10.240 |
-0.660 |
CH3CH2SH |
ethanethiol |
6.726 |
7.380 |
-0.654 |
C3H4N2 |
1H-Pyrazole |
6.581 |
7.230 |
-0.649 |
C5H11Cl |
Pentane, 1-chloro- |
11.364 |
12.000 |
-0.636 |
C6H5F |
Fluorobenzene |
9.565 |
10.200 |
-0.635 |
C6H5CHO |
benzaldehyde |
12.168 |
12.800 |
-0.633 |
C2H5Br |
Ethyl bromide |
6.650 |
7.280 |
-0.631 |
C4H5N |
Pyrrole |
7.310 |
7.940 |
-0.630 |
C4H4O |
Furan |
6.601 |
7.230 |
-0.629 |
C6H5OCH3 |
Anisole |
12.473 |
13.100 |
-0.627 |
SO2 |
Sulfur dioxide |
3.256 |
3.882 |
-0.627 |
CH3CH2CH2CN |
Butanenitrile |
7.780 |
8.400 |
-0.620 |
As4 |
Arsenic tetramer |
16.689 |
17.293 |
-0.604 |
CH3CCH |
propyne |
4.952 |
5.550 |
-0.598 |
C2H8N2 |
Ethylenediamine |
6.604 |
7.200 |
-0.596 |
Al2Cl6 |
Aluminum, di-μ-chlorotetrachlorodi- |
17.292 |
17.886 |
-0.593 |
C6H12 |
Cyclohexane |
10.415 |
11.000 |
-0.585 |
CH2CHCHO |
Acrolein |
5.795 |
6.379 |
-0.584 |
N2O |
Nitrous oxide |
2.421 |
2.998 |
-0.577 |
C2H2 |
Acetylene |
2.915 |
3.487 |
-0.572 |
N2H4 |
Hydrazine |
2.889 |
3.460 |
-0.571 |
C6H5OH |
phenol |
10.342 |
10.909 |
-0.568 |
CH2ClCH2Cl |
Ethane, 1,2-dichloro- |
7.437 |
8.000 |
-0.563 |
SeF6 |
Selenium hexafluoride |
4.767 |
5.320 |
-0.553 |
CHCCH2CH3 |
1-Butyne |
6.866 |
7.410 |
-0.543 |
C2H4 |
Ethylene |
3.646 |
4.188 |
-0.542 |
CH3CH(NH2)CH3 |
2-Propanamine |
7.232 |
7.769 |
-0.537 |
C14H10 |
Anthracene |
26.165 |
26.700 |
-0.535 |
CHF2Cl |
difluorochloromethane |
3.905 |
4.440 |
-0.535 |
NF3 |
Nitrogen trifluoride |
2.278 |
2.810 |
-0.531 |
C3H8O2 |
Methane, dimethoxy- |
7.174 |
7.700 |
-0.526 |
NH2CH2CH2CH3 |
1-Propanamine |
7.202 |
7.700 |
-0.498 |
O2 |
Oxygen diatomic |
1.066 |
1.562 |
-0.495 |
CH3NO2 |
Methane, nitro- |
4.309 |
4.800 |
-0.491 |
SO3 |
Sulfur trioxide |
3.817 |
4.297 |
-0.481 |
F2SO |
Thionyl Fluoride |
3.448 |
3.927 |
-0.479 |
C10H8 |
naphthalene |
16.922 |
17.400 |
-0.478 |
C2N2 |
Cyanogen |
4.539 |
5.015 |
-0.476 |
C5H8O |
Cyclopentanone |
8.779 |
9.250 |
-0.471 |
CH3CH2CH2Br |
n-propyl bromide |
8.604 |
9.070 |
-0.466 |
C6H12 |
Cyclohexane |
10.534 |
11.000 |
-0.466 |
C6H4O2 |
parabenzoquinone |
10.766 |
11.229 |
-0.464 |
C3H4N2 |
1H-Imidazole |
6.627 |
7.090 |
-0.463 |
CH3CH2NH2 |
Ethylamine |
5.407 |
5.870 |
-0.463 |
CH3C6H4CH3 |
paraxylene |
13.802 |
14.260 |
-0.458 |
C2H6O2 |
1,2-Ethanediol |
5.253 |
5.710 |
-0.457 |
C6H6 |
Benzene |
9.503 |
9.959 |
-0.456 |
C6H10O |
cyclohexanone |
10.607 |
11.061 |
-0.454 |
C2H4O |
Ethylene oxide |
3.977 |
4.431 |
-0.454 |
SF6 |
Sulfur Hexafluoride |
4.037 |
4.490 |
-0.453 |
CH3CH2COOH |
Propanoic Acid |
6.509 |
6.960 |
-0.451 |
CH3SH |
Methanethiol |
4.737 |
5.186 |
-0.449 |
C4H4N2O2 |
Uracil |
9.642 |
10.090 |
-0.448 |
CH3CCl(CH3)CH3 |
Propane, 2-chloro-2-methyl- |
9.435 |
9.879 |
-0.445 |
CH2CHCHO |
Acrolein |
5.935 |
6.379 |
-0.444 |
C3H6 |
Cyclopropane |
5.196 |
5.640 |
-0.444 |
CF3CHF2 |
pentafluoroethane |
4.180 |
4.623 |
-0.443 |
CH2F2 |
Methane, difluoro- |
2.319 |
2.761 |
-0.442 |
CF3CH2F |
1,1,1,2-tetrafluoroethane |
4.114 |
4.549 |
-0.436 |
CH3COOH |
Acetic acid |
4.721 |
5.149 |
-0.429 |
CHF3 |
Methane, trifluoro- |
2.373 |
2.801 |
-0.428 |
C5H10 |
Cyclopentane |
8.743 |
9.170 |
-0.426 |
C3F8 |
perfluoropropane |
6.099 |
6.525 |
-0.426 |
CH3SOCH3 |
Dimethyl sulfoxide |
7.547 |
7.969 |
-0.423 |
O2 |
Oxygen diatomic |
1.141 |
1.562 |
-0.421 |
CF4 |
Carbon tetrafluoride |
2.407 |
2.824 |
-0.417 |
NH3 |
Ammonia |
1.686 |
2.103 |
-0.417 |
H2O |
Water |
1.085 |
1.501 |
-0.416 |
C2F6 |
hexafluoroethane |
4.252 |
4.668 |
-0.416 |
CHONH2 |
formamide |
3.664 |
4.080 |
-0.416 |
CHONH2 |
formamide |
3.665 |
4.080 |
-0.415 |
H2CO |
Formaldehyde |
2.365 |
2.770 |
-0.405 |
HCN |
Hydrogen cyanide |
2.194 |
2.593 |
-0.399 |
C5H10 |
2-Pentene, (E)- |
9.446 |
9.839 |
-0.394 |
NO |
Nitric oxide |
1.305 |
1.698 |
-0.393 |
CH3CH2OH |
Ethanol |
4.722 |
5.112 |
-0.390 |
GeF4 |
Germanium tetrafluoride |
3.661 |
4.050 |
-0.389 |
CH3COCH2CH3 |
2-Butanone |
7.802 |
8.190 |
-0.388 |
CH3COCH2CH3 |
2-Butanone |
7.804 |
8.190 |
-0.386 |
C4H4O2 |
2-Oxetanone, 4-methylene- |
7.617 |
8.000 |
-0.384 |
CH2CHCH3 |
Propene |
5.617 |
5.990 |
-0.372 |
C4H4S |
Thiophene |
8.646 |
9.010 |
-0.363 |
C6H5NH2 |
aniline |
11.218 |
11.581 |
-0.363 |
HCOOH |
Formic acid |
2.961 |
3.319 |
-0.358 |
F2 |
Fluorine diatomic |
0.804 |
1.160 |
-0.356 |
CH2C(CH3)CH3 |
1-Propene, 2-methyl- |
7.524 |
7.880 |
-0.356 |
CH2CHCH2CH2CH3 |
1-pentene |
9.295 |
9.650 |
-0.355 |
C3H7NO |
dimethylformamide |
7.455 |
7.809 |
-0.355 |
CH3OCH3 |
Dimethyl ether |
4.805 |
5.160 |
-0.354 |
C3H7NO |
dimethylformamide |
7.455 |
7.809 |
-0.354 |
CH3CCCH3 |
2-Butyne |
7.127 |
7.480 |
-0.353 |
C6H5CHCH2 |
Styrene |
14.065 |
14.409 |
-0.345 |
CH3OH |
Methyl alcohol |
2.865 |
3.210 |
-0.344 |
C2H5CN |
ethyl cyanide |
5.897 |
6.240 |
-0.343 |
C4H6O2 |
2,3-Butanedione |
7.860 |
8.201 |
-0.341 |
C4H6O2 |
2,3-Butanedione |
7.860 |
8.201 |
-0.340 |
C4H6O2 |
2,3-Butanedione |
7.861 |
8.201 |
-0.340 |
CH3CH2CHO |
Propanal |
6.013 |
6.350 |
-0.337 |
C6H15N |
triethylamine |
13.044 |
13.380 |
-0.335 |
CH3CH(CH3)CN |
Propanenitrile, 2-methyl- |
7.715 |
8.049 |
-0.335 |
C5H10O |
3-Pentanone |
9.596 |
9.930 |
-0.334 |
C6H5Cl |
chlorobenzene |
11.531 |
11.861 |
-0.330 |
C6H12 |
hex-1-ene |
11.323 |
11.650 |
-0.327 |
CHOCHCHCH3 |
2-Butenal |
8.174 |
8.500 |
-0.326 |
CHOCH2CH2CH3 |
Butanal |
7.855 |
8.180 |
-0.324 |
CH3CF3 |
Ethane, 1,1,1-trifluoro- |
4.078 |
4.400 |
-0.322 |
Si2H6 |
disilane |
9.092 |
9.410 |
-0.318 |
C4H10O |
Methyl propyl ether |
8.542 |
8.860 |
-0.318 |
CO2 |
Carbon dioxide |
2.193 |
2.507 |
-0.314 |
CH3CH2CH2CH3 |
Butane |
7.717 |
8.020 |
-0.303 |
CH3OCHO |
methyl formate |
4.748 |
5.050 |
-0.302 |
CH2CHCH2CH3 |
1-Butene |
7.529 |
7.830 |
-0.301 |
C3H5Cl |
1-Propene, 3-chloro- |
7.103 |
7.400 |
-0.298 |
BF3 |
Borane, trifluoro- |
2.122 |
2.420 |
-0.298 |
C5H11N |
Piperidine |
10.022 |
10.320 |
-0.297 |
SiF4 |
Silicon tetrafluoride |
3.024 |
3.319 |
-0.296 |
C3H8O2 |
Methane, dimethoxy- |
7.407 |
7.700 |
-0.292 |
HCOOH |
Formic acid |
3.028 |
3.319 |
-0.292 |
CH3CONH2 |
Acetamide |
5.400 |
5.670 |
-0.269 |
SiH4 |
Silane |
4.510 |
4.777 |
-0.267 |
CH3NH2 |
methyl amine |
3.487 |
3.754 |
-0.266 |
C5H10O |
2-Pentanone |
9.665 |
9.930 |
-0.265 |
C5H10O |
2-Pentanone |
9.665 |
9.930 |
-0.265 |
C3H8O3 |
1,2,3-Propanetriol |
7.602 |
7.860 |
-0.258 |
C6H5CH3 |
toluene |
11.606 |
11.861 |
-0.255 |
CH3F |
Methyl fluoride |
2.287 |
2.540 |
-0.253 |
N2 |
Nitrogen diatomic |
1.459 |
1.710 |
-0.251 |
HF |
Hydrogen fluoride |
0.551 |
0.800 |
-0.249 |
CH3COCH3 |
Acetone |
6.028 |
6.270 |
-0.242 |
CH3COCH3 |
Acetone |
6.029 |
6.270 |
-0.240 |
C5H12 |
Pentane |
9.642 |
9.879 |
-0.237 |
CO |
Carbon monoxide |
1.722 |
1.953 |
-0.231 |
HCOOC2H5 |
Ethyl formate |
6.650 |
6.880 |
-0.230 |
CH3CH2CH2CH3 |
Butane |
7.791 |
8.020 |
-0.229 |
CH2CHCH2CH2CH3 |
1-pentene |
9.422 |
9.650 |
-0.228 |
PH3 |
Phosphine |
4.010 |
4.237 |
-0.227 |
CH3CH(CH3)CH3 |
Isobutane |
7.784 |
8.009 |
-0.226 |
CH2CCH2 |
allene |
5.465 |
5.690 |
-0.225 |
CH3COOCH3 |
methyl acetate |
6.587 |
6.811 |
-0.224 |
C6H10 |
1-Hexyne |
10.679 |
10.900 |
-0.222 |
C5H11N |
Piperidine |
10.104 |
10.320 |
-0.215 |
PF5 |
Phosphorus pentafluoride |
3.440 |
3.650 |
-0.210 |
CH3CN |
Acetonitrile |
4.071 |
4.280 |
-0.209 |
C4H10O |
2-Butanol, (.+/-.)- |
8.361 |
8.570 |
-0.208 |
C4H10O |
1-Butanol |
8.364 |
8.570 |
-0.205 |
CH3CHCHCH3 |
2-Butene, (E)- |
7.676 |
7.880 |
-0.204 |
C5H12O |
Propane, 1-ethoxy- |
10.483 |
10.680 |
-0.196 |
C4H10O |
1-Butanol |
8.376 |
8.570 |
-0.193 |
HD |
Deuterium hydride |
0.605 |
0.791 |
-0.186 |
H2 |
Hydrogen diatomic |
0.604 |
0.787 |
-0.183 |
D2 |
Deuterium diatomic |
0.605 |
0.783 |
-0.179 |
FCN |
Cyanogen fluoride |
2.375 |
2.550 |
-0.175 |
B2H6 |
Diborane |
4.951 |
5.115 |
-0.164 |
C3H7OH |
1-Propanol |
6.514 |
6.670 |
-0.156 |
C2H6 |
Ethane |
4.077 |
4.226 |
-0.149 |
CH4 |
Methane |
2.304 |
2.448 |
-0.144 |
C3H7OH |
1-Propanol |
6.532 |
6.670 |
-0.138 |
C4H8O2 |
1,4-Dioxane |
8.293 |
8.430 |
-0.138 |
C4H5N |
(E)-2-Butenenitrile |
8.069 |
8.201 |
-0.132 |
C3H7ONO |
Propyl nitrite |
8.377 |
8.500 |
-0.123 |
C3H6O3 |
1,3,5-Trioxane |
6.897 |
7.020 |
-0.123 |
C4H8O2 |
Ethyl acetate |
8.504 |
8.620 |
-0.116 |
C6H14 |
Hexane |
11.520 |
11.630 |
-0.110 |
C2H6 |
Ethane |
4.121 |
4.226 |
-0.105 |
CH3CHOHCH3 |
Isopropyl alcohol |
6.569 |
6.670 |
-0.101 |
C4H10O |
Ethoxy ethane |
8.629 |
8.730 |
-0.101 |
C6H5NO2 |
Nitrobenzene |
12.172 |
12.259 |
-0.087 |
C4H2 |
Diacetylene |
6.726 |
6.811 |
-0.085 |
C5H9N |
Propanenitrile, 2,2-dimethyl- |
9.508 |
9.591 |
-0.083 |
C6H4Cl2 |
1,3-dichlorobenzene |
13.666 |
13.729 |
-0.063 |
H2+ |
Hydrogen cation |
0.407 |
0.469 |
-0.062 |
C2H5F |
fluoroethane |
4.107 |
4.164 |
-0.057 |
CH3NHCH3 |
Dimethylamine |
5.430 |
5.447 |
-0.017 |
C3H7OC3H7 |
di-n-propyl ether |
12.209 |
12.219 |
-0.010 |
CH3CHO |
Acetaldehyde |
4.269 |
4.278 |
-0.009 |
C10H16 |
adamantane |
15.924 |
15.930 |
-0.006 |
C3H7ONO |
Propyl nitrite |
8.501 |
8.500 |
0.001 |
C3F6 |
hexafluoropropene |
5.854 |
5.838 |
0.016 |
C7H16 |
heptane |
13.403 |
13.371 |
0.032 |
C3H8 |
Propane |
5.955 |
5.921 |
0.034 |
C14H10 |
Phenanthrene |
24.828 |
24.779 |
0.048 |
CO |
Carbon monoxide |
2.002 |
1.953 |
0.049 |
C8H18 |
Octane |
15.307 |
15.239 |
0.068 |
C60 |
Buckminsterfullerene |
79.081 |
79.000 |
0.081 |
C3H2N2 |
Malononitrile |
5.913 |
5.790 |
0.124 |
C3H7OC3H7 |
di-n-propyl ether |
12.343 |
12.219 |
0.124 |
C2H5SC2H5 |
Diethyl sulfide |
10.692 |
10.549 |
0.142 |
GeH4 |
Germane |
4.954 |
4.770 |
0.184 |
C6H5CN |
phenyl cyanide |
12.180 |
11.981 |
0.199 |
CH3COCH3 |
Acetone |
6.469 |
6.270 |
0.199 |
N(CH3)3 |
Trimethylamine |
7.400 |
7.076 |
0.324 |
N2 |
Nitrogen diatomic |
2.062 |
1.710 |
0.352 |
C5H8 |
Spiropentane |
8.462 |
8.049 |
0.413 |
C6F6 |
hexafluorobenzene |
10.119 |
9.580 |
0.539 |
C5H12 |
Butane, 2-methyl- |
9.563 |
8.770 |
0.793 |
C12H10 |
biphenyl |
20.628 |
19.640 |
0.987 |
B3N3H6 |
borazine |
9.070 |
8.000 |
1.070 |
C24H12 |
Coronene |
44.584 |
42.499 |
2.084 |
C10H8 |
Azulene |
18.352 |
15.520 |
2.832 |
C10H8 |
Azulene |
18.353 |
15.520 |
2.833 |
CaO |
Calcium monoxide |
8.184 |
2.841 |
5.344 |
MgO |
magnesium oxide |
7.726 |
1.750 |
5.976 |