|
|
III.G.11. |
| species | name | calculated | experimental | difference |
|---|---|---|---|---|
| CCl4 | Carbon tetrachloride | 8.507 | 10.002 | -1.496 |
| CH3SCH3 | Dimethyl sulfide | 6.232 | 7.550 | -1.318 |
| NO2 | Nitrogen dioxide | 1.617 | 2.910 | -1.293 |
| CH3Cl | Methyl chloride | 3.301 | 4.416 | -1.115 |
| H2S | Hydrogen sulfide | 2.524 | 3.631 | -1.107 |
| C6H14 | Hexane | 10.356 | 11.447 | -1.091 |
| HCl | Hydrogen chloride | 1.509 | 2.515 | -1.006 |
| CFCl3 | Trichloromonofluoromethane | 6.944 | 7.931 | -0.987 |
| CF2Cl2 | difluorodichloromethane | 5.392 | 6.370 | -0.979 |
| CH2F2 | Methane, difluoro- | 2.242 | 3.200 | -0.958 |
| Ar | Argon atom | 0.742 | 1.664 | -0.923 |
| C5H12 | Pentane | 8.662 | 9.579 | -0.916 |
| CH3OCH3 | Dimethyl ether | 4.293 | 5.160 | -0.867 |
| CH3CH2OH | Ethanol | 4.276 | 5.112 | -0.837 |
| CF3Cl | Methane, chlorotrifluoro- | 3.914 | 4.740 | -0.827 |
| C2H2 | Acetylene | 2.693 | 3.487 | -0.794 |
| C3H6 | Cyclopropane | 4.849 | 5.640 | -0.791 |
| CH3CH2CH2CH3 | Butane | 6.974 | 7.688 | -0.714 |
| C2H4 | Ethylene | 3.480 | 4.188 | -0.708 |
| H | Hydrogen atom | 0.038 | 0.667 | -0.629 |
| C3H8 | Propane | 5.298 | 5.921 | -0.624 |
| C2H6 | Ethane | 3.607 | 4.226 | -0.619 |
| C5H5N | Pyridine | 8.892 | 9.493 | -0.602 |
| NO | Nitric oxide | 1.129 | 1.698 | -0.569 |
| CH3NH2 | methyl amine | 3.186 | 3.754 | -0.567 |
| C6H5F | Fluorobenzene | 9.634 | 10.200 | -0.566 |
| H2CO | Formaldehyde | 2.203 | 2.770 | -0.566 |
| NH3 | Ammonia | 1.552 | 2.103 | -0.551 |
| C | Carbon atom | 1.216 | 1.760 | -0.544 |
| CH3NHCH3 | Dimethylamine | 4.914 | 5.447 | -0.533 |
| O2 | Oxygen diatomic | 1.034 | 1.562 | -0.528 |
| CH4 | Methane | 1.941 | 2.448 | -0.507 |
| H2O | Water | 1.004 | 1.501 | -0.497 |
| CH3OH | Methyl alcohol | 2.599 | 3.081 | -0.482 |
| CH2CCH2 | allene | 5.225 | 5.690 | -0.465 |
| CH3F | Methyl fluoride | 2.081 | 2.540 | -0.459 |
| H2 | Hydrogen diatomic | 0.361 | 0.787 | -0.427 |
| N | Nitrogen atom | 0.735 | 1.100 | -0.365 |
| HCOOH | Formic acid | 2.971 | 3.319 | -0.348 |
| O | Oxygen atom | 0.460 | 0.802 | -0.342 |
| N(CH3)3 | Trimethylamine | 6.757 | 7.076 | -0.319 |
| N2O | Nitrous oxide | 2.686 | 2.998 | -0.312 |
| CH3CHO | Acetaldehyde | 3.982 | 4.278 | -0.296 |
| CF4 | Carbon tetrafluoride | 2.555 | 2.824 | -0.270 |
| F | Fluorine atom | 0.330 | 0.557 | -0.227 |
| N2 | Nitrogen diatomic | 1.515 | 1.710 | -0.195 |
| CO | Carbon monoxide | 1.768 | 1.953 | -0.185 |
| CO2 | Carbon dioxide | 2.344 | 2.507 | -0.164 |
| He | Helium atom | 0.057 | 0.208 | -0.152 |
| Ne | Neon atom | 0.259 | 0.381 | -0.122 |
| Be | Beryllium atom | 5.995 | 5.600 | 0.395 |
| SO2 | Sulfur dioxide | 3.634 | 3.219 | 0.416 |
| Li | Lithium atom | 26.967 | 24.330 | 2.637 |
| Na | Sodium atom | 35.302 | 24.110 | 11.192 |