|
|
III.G.11. |
| species | name | calculated | experimental | difference |
|---|---|---|---|---|
| CH2F2 | Methane, difluoro- | 2.709 | 3.200 | -0.491 |
| H | Hydrogen atom | 0.298 | 0.667 | -0.368 |
| HD | Deuterium hydride | 0.619 | 0.791 | -0.171 |
| H2 | Hydrogen diatomic | 0.619 | 0.787 | -0.168 |
| H2O | Water | 1.335 | 1.501 | -0.166 |
| D2 | Deuterium diatomic | 0.619 | 0.783 | -0.164 |
| NO2 | Nitrogen dioxide | 2.773 | 2.910 | -0.137 |
| C3H6 | Cyclopropane | 5.506 | 5.640 | -0.134 |
| H2S | Hydrogen sulfide | 3.497 | 3.631 | -0.134 |
| H2CO | Formaldehyde | 2.653 | 2.770 | -0.117 |
| N2O | Nitrous oxide | 2.894 | 2.998 | -0.104 |
| CH3SCH3 | Dimethyl sulfide | 7.450 | 7.550 | -0.100 |
| Cl | Chlorine atom | 2.087 | 2.180 | -0.093 |
| O | Oxygen atom | 0.712 | 0.802 | -0.090 |
| F | Fluorine atom | 0.475 | 0.557 | -0.082 |
| C2H4 | Ethylene | 4.113 | 4.188 | -0.075 |
| NH3 | Ammonia | 2.044 | 2.103 | -0.059 |
| HCl | Hydrogen chloride | 2.461 | 2.515 | -0.054 |
| O2 | Oxygen diatomic | 1.513 | 1.562 | -0.049 |
| C2H2 | Acetylene | 3.456 | 3.487 | -0.031 |
| Br | Bromine atom | 3.020 | 3.050 | -0.030 |
| CH3CH2OH | Ethanol | 5.101 | 5.112 | -0.011 |
| CH3OCH3 | Dimethyl ether | 5.160 | 5.160 | 0.000 |
| N | Nitrogen atom | 1.103 | 1.100 | 0.003 |
| CH3F | Methyl fluoride | 2.548 | 2.540 | 0.009 |
| NO | Nitric oxide | 1.708 | 1.698 | 0.009 |
| CO | Carbon monoxide | 2.004 | 1.953 | 0.051 |
| CH4 | Methane | 2.499 | 2.448 | 0.051 |
| N2 | Nitrogen diatomic | 1.782 | 1.710 | 0.072 |
| CO2 | Carbon dioxide | 2.585 | 2.507 | 0.078 |
| CH3OH | Methyl alcohol | 3.184 | 3.081 | 0.103 |
| CF3Cl | Methane, chlorotrifluoro- | 4.861 | 4.740 | 0.121 |
| CH3NH2 | methyl amine | 3.878 | 3.754 | 0.124 |
| HCOOH | Formic acid | 3.465 | 3.319 | 0.146 |
| C5H5N | Pyridine | 9.648 | 9.493 | 0.155 |
| CF4 | Carbon tetrafluoride | 2.995 | 2.824 | 0.170 |
| C6H5F | Fluorobenzene | 10.497 | 10.200 | 0.297 |
| C3H8 | Propane | 6.226 | 5.921 | 0.304 |
| CH3NHCH3 | Dimethylamine | 5.875 | 5.447 | 0.428 |
| CH3CHO | Acetaldehyde | 4.707 | 4.278 | 0.429 |
| CH2CCH2 | allene | 6.129 | 5.690 | 0.439 |
| CF2Cl2 | difluorodichloromethane | 6.822 | 6.370 | 0.451 |
| CH3CH2CH2CH3 | Butane | 8.143 | 7.688 | 0.455 |
| CH3COCH3 | Acetone | 6.565 | 6.096 | 0.469 |
| C5H12 | Pentane | 10.071 | 9.579 | 0.493 |
| C6H14 | Hexane | 12.023 | 11.447 | 0.576 |
| SO2 | Sulfur dioxide | 3.856 | 3.219 | 0.638 |
| CCl4 | Carbon tetrachloride | 10.770 | 10.002 | 0.768 |
| CFCl3 | Trichloromonofluoromethane | 8.803 | 7.931 | 0.872 |
| N(CH3)3 | Trimethylamine | 7.965 | 7.076 | 0.889 |