|
III.G.11. |
Comparison of polarizabilities for B3LYP/6-311+G(3df,2p)
| species | name | calculated | experimental | difference |
|---|---|---|---|---|
| NaLi | lithium sodium | 31.740 | 39.999 | -8.260 |
| Li | Lithium atom | 21.256 | 24.330 | -3.074 |
| SiH3Cl | chlorosilane | 6.173 | 9.113 | -2.940 |
| SiH3Cl | chlorosilane | 6.174 | 9.113 | -2.939 |
| CH3CHClCH2CH3 | Butane, 2-chloro- | 9.805 | 12.499 | -2.694 |
| CH2ClCH2CH2CH3 | Butane, 1-chloro- | 9.892 | 11.301 | -1.409 |
| BeH2 | beryllium dihydride | 2.995 | 4.340 | -1.345 |
| BeH2 | beryllium dihydride | 2.995 | 4.340 | -1.345 |
| C5H12O | 1-Pentanol | 10.343 | 11.581 | -1.237 |
| CS2 | Carbon disulfide | 8.068 | 8.749 | -0.680 |
| CS2 | Carbon disulfide | 8.069 | 8.749 | -0.680 |
| PF3 | Phosphorus trifluoride | 3.813 | 4.414 | -0.602 |
| C5H12 | Propane, 2,2-dimethyl- | 9.654 | 10.240 | -0.585 |
| C2H6O2S | Dimethyl sulfone | 7.882 | 8.401 | -0.518 |
| C2H6O2S | Dimethyl sulfone | 7.882 | 8.401 | -0.518 |
| CH2CHCHCH2 | 1,3-Butadiene | 8.386 | 8.881 | -0.495 |
| C6H12 | Cyclohexane | 10.522 | 11.000 | -0.478 |
| BCl3 | Borane, trichloro- | 8.262 | 8.700 | -0.438 |
| BCl3 | Borane, trichloro- | 8.266 | 8.700 | -0.434 |
| CH3CH2Cl | Ethyl chloride | 6.162 | 6.590 | -0.428 |
| C2H4S | Thiirane | 6.495 | 6.910 | -0.415 |
| C2H4S | Thiirane | 6.495 | 6.910 | -0.415 |
| O3 | Ozone | 2.667 | 3.079 | -0.412 |
| O3 | Ozone | 2.667 | 3.079 | -0.412 |
| C5H10 | Cyclopentane | 8.767 | 9.170 | -0.403 |
| C5H10 | Cyclopentane | 8.767 | 9.170 | -0.403 |
| BrCN | Cyanogen bromide | 5.445 | 5.824 | -0.378 |
| C2H3Cl | Ethene, chloro- | 6.046 | 6.410 | -0.364 |
| N2O4 | Dinitrogen tetroxide | 6.152 | 6.495 | -0.343 |
| N2O4 | Dinitrogen tetroxide | 6.152 | 6.495 | -0.343 |
| CH3CH(NH2)CH3 | 2-Propanamine | 7.432 | 7.769 | -0.337 |
| C3H8O2 | Methane, dimethoxy- | 7.370 | 7.700 | -0.330 |
| CH2Cl2 | Methylene chloride | 6.341 | 6.659 | -0.319 |
| CH2Cl2 | Methylene chloride | 6.341 | 6.659 | -0.319 |
| CH3SCH3 | Dimethyl sulfide | 7.234 | 7.550 | -0.316 |
| C3H6 | Cyclopropane | 5.324 | 5.640 | -0.316 |
| CH3SCH3 | Dimethyl sulfide | 7.235 | 7.550 | -0.315 |
| C3H6 | Cyclopropane | 5.325 | 5.640 | -0.315 |
| Si2H6 | disilane | 9.109 | 9.410 | -0.301 |
| Si2H6 | disilane | 9.109 | 9.410 | -0.301 |
| NH2CH2CH2CH3 | 1-Propanamine | 7.407 | 7.700 | -0.293 |
| CH3Br | methyl bromide | 5.329 | 5.610 | -0.281 |
| C2H4O | Ethylene oxide | 4.155 | 4.431 | -0.276 |
| C2H4O | Ethylene oxide | 4.157 | 4.431 | -0.274 |
| PCl3 | Phosphorus trichloride | 10.366 | 10.634 | -0.268 |
| C4H10O | Methyl propyl ether | 8.598 | 8.860 | -0.262 |
| CH3CH2NH2 | Ethylamine | 5.620 | 5.870 | -0.249 |
| C5H10 | 2-Pentene, (E)- | 9.593 | 9.839 | -0.247 |
| CH3OCH3 | Dimethyl ether | 4.917 | 5.160 | -0.243 |
| CH3OCH3 | Dimethyl ether | 4.918 | 5.160 | -0.242 |
| CH3CH2OH | Ethanol | 4.872 | 5.112 | -0.241 |
| HBr | hydrogen bromide | 3.376 | 3.616 | -0.240 |
| CH3CH2OH | Ethanol | 4.873 | 5.112 | -0.239 |
| H2O | Water | 1.269 | 1.501 | -0.232 |
| H2O | Water | 1.269 | 1.501 | -0.232 |
| H2CO | Formaldehyde | 2.542 | 2.770 | -0.227 |
| H2CO | Formaldehyde | 2.542 | 2.770 | -0.227 |
| H2CO | Formaldehyde | 2.542 | 2.770 | -0.227 |
| CH3COCH2CH3 | 2-Butanone | 7.964 | 8.190 | -0.226 |
| C5H12 | Pentane | 9.655 | 9.879 | -0.225 |
| NO2 | Nitrogen dioxide | 2.686 | 2.910 | -0.224 |
| NO2 | Nitrogen dioxide | 2.687 | 2.910 | -0.224 |
| NO2 | Nitrogen dioxide | 2.687 | 2.910 | -0.224 |
| C5H10O | 3-Pentanone | 9.707 | 9.930 | -0.223 |
| C5H10O | 3-Pentanone | 9.707 | 9.930 | -0.223 |
| SiH4 | Silane | 4.560 | 4.777 | -0.218 |
| SiH4 | Silane | 4.560 | 4.777 | -0.217 |
| SiH4 | Silane | 4.560 | 4.777 | -0.217 |
| C5H11Cl | Pentane, 1-chloro- | 11.785 | 12.000 | -0.215 |
| H2S | Hydrogen sulfide | 3.417 | 3.631 | -0.213 |
| H2S | Hydrogen sulfide | 3.417 | 3.631 | -0.213 |
| H2S | Hydrogen sulfide | 3.418 | 3.631 | -0.213 |
| CH3CH2CH2CH3 | Butane | 7.815 | 8.020 | -0.205 |
| CH2CO | Ketene | 4.195 | 4.400 | -0.205 |
| CH3CH2CH2CH3 | Butane | 7.815 | 8.020 | -0.205 |
| CH2CO | Ketene | 4.196 | 4.400 | -0.204 |
| AsH3 | Arsine | 5.268 | 5.468 | -0.200 |
| CH2F2 | Methane, difluoro- | 2.561 | 2.761 | -0.200 |
| CH2F2 | Methane, difluoro- | 2.561 | 2.761 | -0.200 |
| C2H6O2 | 1,2-Ethanediol | 5.510 | 5.710 | -0.200 |
| SO2 | Sulfur dioxide | 3.686 | 3.882 | -0.196 |
| SO2 | Sulfur dioxide | 3.686 | 3.882 | -0.196 |
| N2H4 | Hydrazine | 3.265 | 3.460 | -0.196 |
| N2H4 | Hydrazine | 3.265 | 3.460 | -0.196 |
| CH3CCH | propyne | 5.356 | 5.550 | -0.194 |
| CH3CCH | propyne | 5.356 | 5.550 | -0.194 |
| CH3CH2SH | ethanethiol | 7.189 | 7.380 | -0.191 |
| CH3CH2SH | ethanethiol | 7.189 | 7.380 | -0.191 |
| N2O | Nitrous oxide | 2.807 | 2.998 | -0.191 |
| N2O | Nitrous oxide | 2.807 | 2.998 | -0.191 |
| N2O | Nitrous oxide | 2.807 | 2.998 | -0.191 |
| CH2CHCHO | Acrolein | 6.189 | 6.379 | -0.190 |
| C5H12O | Propane, 1-ethoxy- | 10.490 | 10.680 | -0.190 |
| HD | Deuterium hydride | 0.603 | 0.791 | -0.188 |
| H2 | Hydrogen diatomic | 0.603 | 0.787 | -0.184 |
| H2 | Hydrogen diatomic | 0.603 | 0.787 | -0.184 |
| CHOCH2CH2CH3 | Butanal | 7.996 | 8.180 | -0.184 |
| H2Se | Hydrogen selenide | 4.587 | 4.770 | -0.183 |
| D2 | Deuterium diatomic | 0.603 | 0.783 | -0.180 |
| CH3CH(CH3)CH3 | Isobutane | 7.830 | 8.009 | -0.179 |
| CH3CH(CH3)CH3 | Isobutane | 7.830 | 8.009 | -0.179 |
| CH3CH2CHO | Propanal | 6.175 | 6.350 | -0.175 |
| CH3CH2CHO | Propanal | 6.176 | 6.350 | -0.174 |
| SO3 | Sulfur trioxide | 4.125 | 4.297 | -0.173 |
| Cl2 | Chlorine diatomic | 4.438 | 4.610 | -0.172 |
| Cl2 | Chlorine diatomic | 4.438 | 4.610 | -0.172 |
| SO3 | Sulfur trioxide | 4.125 | 4.297 | -0.172 |
| CH3OH | Methyl alcohol | 3.045 | 3.210 | -0.164 |
| CH3OH | Methyl alcohol | 3.046 | 3.210 | -0.164 |
| CH3OH | Methyl alcohol | 3.046 | 3.210 | -0.163 |
| C2H4 | Ethylene | 4.025 | 4.188 | -0.163 |
| C2H4 | Ethylene | 4.025 | 4.188 | -0.162 |
| C2H4 | Ethylene | 4.025 | 4.188 | -0.162 |
| NH3 | Ammonia | 1.949 | 2.103 | -0.154 |
| NH3 | Ammonia | 1.949 | 2.103 | -0.154 |
| B2H6 | Diborane | 4.962 | 5.115 | -0.154 |
| NH3 | Ammonia | 1.949 | 2.103 | -0.153 |
| B2H6 | Diborane | 4.962 | 5.115 | -0.153 |
| B2H6 | Diborane | 4.962 | 5.115 | -0.153 |
| OCS | Carbonyl sulfide | 4.941 | 5.090 | -0.149 |
| OCS | Carbonyl sulfide | 4.942 | 5.090 | -0.148 |
| CH3Cl | Methyl chloride | 4.272 | 4.416 | -0.144 |
| CH3Cl | Methyl chloride | 4.273 | 4.416 | -0.143 |
| CH3Cl | Methyl chloride | 4.273 | 4.416 | -0.143 |
| CH3CH2SH | ethanethiol | 7.242 | 7.380 | -0.138 |
| CH3COOH | Acetic acid | 5.016 | 5.149 | -0.133 |
| CH2Br2 | dibromomethane | 8.556 | 8.680 | -0.124 |
| C6H14 | Hexane | 11.515 | 11.630 | -0.115 |
| C2N2 | Cyanogen | 4.904 | 5.015 | -0.111 |
| C2N2 | Cyanogen | 4.904 | 5.015 | -0.111 |
| C2H2 | Acetylene | 3.376 | 3.487 | -0.111 |
| HCN | Hydrogen cyanide | 2.482 | 2.593 | -0.111 |
| HCN | Hydrogen cyanide | 2.483 | 2.593 | -0.111 |
| HCN | Hydrogen cyanide | 2.483 | 2.593 | -0.111 |
| C2H2 | Acetylene | 3.377 | 3.487 | -0.110 |
| C5H5N | Pyridine | 9.383 | 9.493 | -0.110 |
| CCl2O | Phosgene | 6.682 | 6.790 | -0.108 |
| HCl | Hydrogen chloride | 2.411 | 2.515 | -0.103 |
| HCl | Hydrogen chloride | 2.412 | 2.515 | -0.103 |
| HCl | Hydrogen chloride | 2.412 | 2.515 | -0.103 |
| NF3 | Nitrogen trifluoride | 2.708 | 2.810 | -0.101 |
| NF3 | Nitrogen trifluoride | 2.709 | 2.810 | -0.101 |
| CH3F | Methyl fluoride | 2.440 | 2.540 | -0.100 |
| CH3F | Methyl fluoride | 2.440 | 2.540 | -0.100 |
| C5H11N | Piperidine | 10.223 | 10.320 | -0.096 |
| C2H5CN | ethyl cyanide | 6.146 | 6.240 | -0.094 |
| HF | Hydrogen fluoride | 0.706 | 0.800 | -0.094 |
| HF | Hydrogen fluoride | 0.706 | 0.800 | -0.094 |
| CH3NO2 | Methane, nitro- | 4.708 | 4.800 | -0.092 |
| CH3NO2 | Methane, nitro- | 4.708 | 4.800 | -0.092 |
| CHF3 | Methane, trifluoro- | 2.710 | 2.801 | -0.090 |
| CHF3 | Methane, trifluoro- | 2.710 | 2.801 | -0.090 |
| O2 | Oxygen diatomic | 1.479 | 1.562 | -0.083 |
| O2 | Oxygen diatomic | 1.479 | 1.562 | -0.082 |
| O2 | Oxygen diatomic | 1.479 | 1.562 | -0.082 |
| CH2C(CH3)CH3 | 1-Propene, 2-methyl- | 7.799 | 7.880 | -0.081 |
| C4H10O | 2-Butanol, (.+/-.)- | 8.491 | 8.570 | -0.078 |
| C4H4O | Furan | 7.153 | 7.230 | -0.077 |
| BF3 | Borane, trifluoro- | 2.345 | 2.420 | -0.075 |
| C4H10O | Ethoxy ethane | 8.658 | 8.730 | -0.072 |
| C4H10O | Ethoxy ethane | 8.658 | 8.730 | -0.072 |
| CH3CCCH3 | 2-Butyne | 7.413 | 7.480 | -0.068 |
| C3H4N2 | 1H-Pyrazole | 7.170 | 7.230 | -0.060 |
| C2H6 | Ethane | 4.167 | 4.226 | -0.059 |
| C2H6 | Ethane | 4.167 | 4.226 | -0.059 |
| C2H6 | Ethane | 4.167 | 4.226 | -0.059 |
| CH3SOCH3 | Dimethyl sulfoxide | 7.913 | 7.969 | -0.056 |
| NO | Nitric oxide | 1.644 | 1.698 | -0.054 |
| NO | Nitric oxide | 1.644 | 1.698 | -0.054 |
| NO | Nitric oxide | 1.644 | 1.698 | -0.054 |
| CH2CHCH3 | Propene | 5.940 | 5.990 | -0.050 |
| HCOOH | Formic acid | 3.270 | 3.319 | -0.049 |
| HCOOH | Formic acid | 3.270 | 3.319 | -0.049 |
| HCOOH | Formic acid | 3.270 | 3.319 | -0.049 |
| CH2CHCH3 | Propene | 5.941 | 5.990 | -0.049 |
| CH3OCHO | methyl formate | 5.006 | 5.050 | -0.045 |
| CHONH2 | formamide | 4.037 | 4.080 | -0.042 |
| CH3COCH3 | Acetone | 6.230 | 6.270 | -0.040 |
| CH3COCH3 | Acetone | 6.231 | 6.270 | -0.039 |
| CH3NH2 | methyl amine | 3.716 | 3.754 | -0.037 |
| CH3NH2 | methyl amine | 3.717 | 3.754 | -0.037 |
| CH3NH2 | methyl amine | 3.717 | 3.754 | -0.037 |
| CH4 | Methane | 2.415 | 2.448 | -0.033 |
| CH4 | Methane | 2.415 | 2.448 | -0.033 |
| CH4 | Methane | 2.415 | 2.448 | -0.033 |
| GeF4 | Germanium tetrafluoride | 4.020 | 4.050 | -0.030 |
| P | Phosphorus atom | 3.600 | 3.630 | -0.030 |
| F2 | Fluorine diatomic | 1.134 | 1.160 | -0.026 |
| F2 | Fluorine diatomic | 1.134 | 1.160 | -0.026 |
| CO2 | Carbon dioxide | 2.483 | 2.507 | -0.024 |
| CO2 | Carbon dioxide | 2.483 | 2.507 | -0.024 |
| CO2 | Carbon dioxide | 2.483 | 2.507 | -0.024 |
| CO | Carbon monoxide | 1.931 | 1.953 | -0.022 |
| CO | Carbon monoxide | 1.931 | 1.953 | -0.022 |
| C3H7OH | 1-Propanol | 6.648 | 6.670 | -0.022 |
| C6H5CHO | benzaldehyde | 12.779 | 12.800 | -0.021 |
| HCOOC2H5 | Ethyl formate | 6.859 | 6.880 | -0.021 |
| CH3CCl(CH3)CH3 | Propane, 2-chloro-2-methyl- | 9.859 | 9.879 | -0.020 |
| SiF4 | Silicon tetrafluoride | 3.299 | 3.319 | -0.020 |
| C6H5CHO | benzaldehyde | 12.781 | 12.800 | -0.019 |
| CHClCHCl | Ethene, 1,2-dichloro-, (Z)- | 8.011 | 8.030 | -0.019 |
| C4H8O2 | 1,4-Dioxane | 8.413 | 8.430 | -0.017 |
| CF4 | Carbon tetrafluoride | 2.808 | 2.824 | -0.017 |
| CH3CHCHCH3 | 2-Butene, (E)- | 7.864 | 7.880 | -0.016 |
| SF6 | Sulfur Hexafluoride | 4.477 | 4.490 | -0.013 |
| SF6 | Sulfur Hexafluoride | 4.477 | 4.490 | -0.013 |
| CH2CHCHO | Acrolein | 6.367 | 6.379 | -0.012 |
| CH3COOCH3 | methyl acetate | 6.802 | 6.811 | -0.009 |
| CF3Cl | Methane, chlorotrifluoro- | 4.644 | 4.650 | -0.006 |
| CF3Cl | Methane, chlorotrifluoro- | 4.646 | 4.650 | -0.004 |
| CH3CF3 | Ethane, 1,1,1-trifluoro- | 4.396 | 4.400 | -0.004 |
| CH2CHCH2CH3 | 1-Butene | 7.828 | 7.830 | -0.002 |
| CHOCHCHCH3 | 2-Butenal | 8.499 | 8.500 | -0.001 |
| CH2ClCHCl2 | 1,1,2-trichloroethane | 10.273 | 10.260 | 0.013 |
| HCOOH | Formic acid | 3.339 | 3.319 | 0.020 |
| C2H5Br | Ethyl bromide | 7.300 | 7.280 | 0.020 |
| N2 | Nitrogen diatomic | 1.731 | 1.710 | 0.021 |
| N2 | Nitrogen diatomic | 1.731 | 1.710 | 0.021 |
| N2 | Nitrogen diatomic | 1.731 | 1.710 | 0.021 |
| P4 | Phosphorus tetramer | 13.614 | 13.589 | 0.025 |
| CF3Br | Bromotrifluoromethane | 5.679 | 5.650 | 0.029 |
| C4H8O2 | Ethyl acetate | 8.666 | 8.620 | 0.046 |
| CH3CHOHCH3 | Isopropyl alcohol | 6.724 | 6.670 | 0.054 |
| CH3CN | Acetonitrile | 4.334 | 4.280 | 0.055 |
| CH3CN | Acetonitrile | 4.335 | 4.280 | 0.055 |
| C3H8 | Propane | 5.985 | 5.921 | 0.063 |
| C3H8 | Propane | 5.985 | 5.921 | 0.064 |
| C3H8 | Propane | 5.985 | 5.921 | 0.064 |
| CH3CHCl2 | Ethane, 1,1-dichloro- | 8.225 | 8.161 | 0.064 |
| C4H5N | Pyrrole | 8.005 | 7.940 | 0.066 |
| C4H5N | Pyrrole | 8.005 | 7.940 | 0.066 |
| C4H4O2 | 2-Oxetanone, 4-methylene- | 8.070 | 8.000 | 0.070 |
| C3H8O3 | 1,2,3-Propanetriol | 7.941 | 7.860 | 0.081 |
| Br2 | Bromine diatomic | 6.516 | 6.431 | 0.085 |
| C6H5OH | phenol | 11.001 | 10.909 | 0.092 |
| C6H10 | 1-Hexyne | 11.001 | 10.900 | 0.101 |
| PH3 | Phosphine | 4.341 | 4.237 | 0.105 |
| PH3 | Phosphine | 4.342 | 4.237 | 0.105 |
| PH3 | Phosphine | 4.342 | 4.237 | 0.105 |
| CHClCHCl | Ethene, 1,2-dichloro-, (E)- | 8.257 | 8.150 | 0.107 |
| CH3CONH2 | Acetamide | 5.777 | 5.670 | 0.107 |
| C3H4N2 | 1H-Imidazole | 7.199 | 7.090 | 0.109 |
| CH3SH | Methanethiol | 5.302 | 5.186 | 0.116 |
| CH3SH | Methanethiol | 5.302 | 5.186 | 0.116 |
| CH3SH | Methanethiol | 5.302 | 5.186 | 0.116 |
| C2F6 | hexafluoroethane | 4.795 | 4.668 | 0.127 |
| CH3CCl3 | Ethane, 1,1,1-trichloro- | 10.257 | 10.120 | 0.137 |
| CH3NHCH3 | Dimethylamine | 5.602 | 5.447 | 0.155 |
| C5H9N | Propanenitrile, 2,2-dimethyl- | 9.747 | 9.591 | 0.156 |
| C3H6O3 | 1,3,5-Trioxane | 7.177 | 7.020 | 0.157 |
| C3H6O3 | 1,3,5-Trioxane | 7.177 | 7.020 | 0.157 |
| PF5 | Phosphorus pentafluoride | 3.817 | 3.650 | 0.167 |
| PF5 | Phosphorus pentafluoride | 3.818 | 3.650 | 0.168 |
| CH3CHO | Acetaldehyde | 4.460 | 4.278 | 0.182 |
| CH3CHO | Acetaldehyde | 4.461 | 4.278 | 0.183 |
| C4H5N | (E)-2-Butenenitrile | 8.398 | 8.201 | 0.197 |
| SiCl4 | Silane, tetrachloro- | 11.474 | 11.269 | 0.204 |
| CF2Cl2 | difluorodichloromethane | 6.577 | 6.370 | 0.206 |
| CF2Cl2 | difluorodichloromethane | 6.578 | 6.370 | 0.208 |
| C6H6 | Benzene | 10.169 | 9.959 | 0.209 |
| C6H6 | Benzene | 10.169 | 9.959 | 0.210 |
| CH2CCl2 | Ethene, 1,1-dichloro- | 8.063 | 7.830 | 0.232 |
| CFCl3 | Trichloromonofluoromethane | 8.530 | 8.249 | 0.281 |
| CH2CCH2 | allene | 5.991 | 5.690 | 0.301 |
| CH2CCH2 | allene | 5.992 | 5.690 | 0.302 |
| CHCl3 | Chloroform | 8.437 | 8.129 | 0.307 |
| CHCl3 | Chloroform | 8.437 | 8.129 | 0.307 |
| CH2ClCH2Cl | Ethane, 1,2-dichloro- | 8.316 | 8.000 | 0.316 |
| C6H5CH3 | toluene | 12.183 | 11.861 | 0.323 |
| C10H8 | naphthalene | 17.730 | 17.400 | 0.330 |
| C10H8 | naphthalene | 17.730 | 17.400 | 0.330 |
| C6H5NH2 | aniline | 11.967 | 11.581 | 0.386 |
| C6H5CHCH2 | Styrene | 14.798 | 14.409 | 0.388 |
| GeH4 | Germane | 5.185 | 4.770 | 0.415 |
| GeH4 | Germane | 5.187 | 4.770 | 0.417 |
| C4H4S | Thiophene | 9.434 | 9.010 | 0.424 |
| As4 | Arsenic tetramer | 17.727 | 17.293 | 0.434 |
| CCl4 | Carbon tetrachloride | 10.470 | 10.002 | 0.468 |
| CCl4 | Carbon tetrachloride | 10.474 | 10.002 | 0.471 |
| CHClCCl2 | Trichloroethylene | 10.236 | 9.751 | 0.485 |
| N(CH3)3 | Trimethylamine | 7.562 | 7.076 | 0.486 |
| C4H2 | Diacetylene | 7.301 | 6.811 | 0.490 |
| C4H2 | Diacetylene | 7.301 | 6.811 | 0.490 |
| C2H5SC2H5 | Diethyl sulfide | 11.079 | 10.549 | 0.529 |
| C3H2N2 | Malononitrile | 6.326 | 5.790 | 0.537 |
| C6H5Cl | chlorobenzene | 12.413 | 11.861 | 0.552 |
| C5H8 | Spiropentane | 8.632 | 8.049 | 0.582 |
| C3F6 | hexafluoropropene | 6.422 | 5.838 | 0.583 |
| C6H5NO2 | Nitrobenzene | 12.908 | 12.259 | 0.648 |
| C5H12 | Butane, 2-methyl- | 9.602 | 8.770 | 0.833 |
| N2 | Nitrogen diatomic | 2.729 | 1.710 | 1.019 |
| CaO | Calcium monoxide | 6.795 | 2.841 | 3.954 |
| MgO | magnesium oxide | 7.815 | 1.750 | 6.065 |