|
|
III.G.11. |
| species | name | calculated | experimental | difference |
|---|---|---|---|---|
| NaLi | lithium sodium | 36.079 | 39.999 | -3.921 |
| CCl4 | Carbon tetrachloride | 6.989 | 10.002 | -3.014 |
| CFCl3 | Trichloromonofluoromethane | 5.541 | 7.931 | -2.390 |
| CF2Cl2 | difluorodichloromethane | 4.128 | 6.370 | -2.243 |
| C6H5F | Fluorobenzene | 8.161 | 10.200 | -2.039 |
| C5H5N | Pyridine | 7.538 | 9.493 | -1.955 |
| CF3Cl | Methane, chlorotrifluoro- | 2.797 | 4.740 | -1.943 |
| CH3SCH3 | Dimethyl sulfide | 5.661 | 7.550 | -1.889 |
| CH3Br | methyl bromide | 3.735 | 5.610 | -1.875 |
| C6H14 | Hexane | 9.883 | 11.447 | -1.564 |
| CH2F2 | Methane, difluoro- | 1.723 | 3.200 | -1.477 |
| H2S | Hydrogen sulfide | 2.181 | 3.631 | -1.450 |
| CH3Cl | Methyl chloride | 3.002 | 4.416 | -1.414 |
| Cl | Chlorine atom | 0.829 | 2.180 | -1.351 |
| C5H12 | Pentane | 8.280 | 9.579 | -1.298 |
| CH3OCH3 | Dimethyl ether | 3.866 | 5.160 | -1.293 |
| HCl | Hydrogen chloride | 1.260 | 2.515 | -1.255 |
| CH3CH2OH | Ethanol | 3.873 | 5.112 | -1.239 |
| CF4 | Carbon tetrafluoride | 1.620 | 2.824 | -1.205 |
| CH3COCH3 | Acetone | 4.951 | 6.096 | -1.146 |
| HCOOH | Formic acid | 2.178 | 3.319 | -1.142 |
| C2H2 | Acetylene | 2.362 | 3.487 | -1.125 |
| C3H6 | Cyclopropane | 4.526 | 5.640 | -1.114 |
| NO2 | Nitrogen dioxide | 1.824 | 2.910 | -1.087 |
| Ar | Argon atom | 0.578 | 1.664 | -1.086 |
| N2O | Nitrous oxide | 1.937 | 2.998 | -1.061 |
| N(CH3)3 | Trimethylamine | 6.031 | 7.076 | -1.045 |
| CH3CH2CH2CH3 | Butane | 6.652 | 7.688 | -1.036 |
| CH3NHCH3 | Dimethylamine | 4.428 | 5.447 | -1.019 |
| C2H4 | Ethylene | 3.183 | 4.188 | -1.005 |
| CH3CH2CH2CH3 | Butane | 6.690 | 7.688 | -0.998 |
| CH3NH2 | methyl amine | 2.815 | 3.754 | -0.938 |
| H2CO | Formaldehyde | 1.866 | 2.770 | -0.903 |
| CH2CCH2 | allene | 4.814 | 5.690 | -0.876 |
| NH3 | Ammonia | 1.231 | 2.103 | -0.872 |
| CO2 | Carbon dioxide | 1.657 | 2.507 | -0.850 |
| CH3CHO | Acetaldehyde | 3.449 | 4.278 | -0.829 |
| C3H8 | Propane | 5.111 | 5.921 | -0.811 |
| CH3OH | Methyl alcohol | 2.272 | 3.081 | -0.809 |
| H2O | Water | 0.727 | 1.501 | -0.774 |
| CH3F | Methyl fluoride | 1.817 | 2.540 | -0.723 |
| C2H6 | Ethane | 3.531 | 4.226 | -0.696 |
| SO2 | Sulfur dioxide | 2.542 | 3.219 | -0.677 |
| NO | Nitric oxide | 1.040 | 1.698 | -0.658 |
| C | Carbon atom | 1.172 | 1.760 | -0.588 |
| CO | Carbon monoxide | 1.375 | 1.953 | -0.578 |
| H | Hydrogen atom | 0.093 | 0.667 | -0.574 |
| O2 | Oxygen diatomic | 0.998 | 1.562 | -0.563 |
| B | Boron atom | 2.498 | 3.030 | -0.532 |
| O | Oxygen atom | 0.276 | 0.802 | -0.526 |
| CH4 | Methane | 1.928 | 2.448 | -0.520 |
| N2 | Nitrogen diatomic | 1.197 | 1.710 | -0.513 |
| N | Nitrogen atom | 0.631 | 1.100 | -0.469 |
| F | Fluorine atom | 0.136 | 0.557 | -0.421 |
| HD | Deuterium hydride | 0.438 | 0.791 | -0.353 |
| H2 | Hydrogen diatomic | 0.438 | 0.787 | -0.350 |
| D2 | Deuterium diatomic | 0.438 | 0.783 | -0.346 |
| Ne | Neon atom | 0.072 | 0.381 | -0.309 |
| He | Helium atom | 0.046 | 0.208 | -0.163 |
| Li | Lithium atom | 24.891 | 24.330 | 0.561 |
| Be | Beryllium atom | 6.531 | 5.600 | 0.931 |
| Mg | Magnesium atom | 11.857 | 10.600 | 1.257 |
| Na | Sodium atom | 27.750 | 24.110 | 3.640 |