|
|
III.G.11. |
| species | name | calculated | experimental | difference |
|---|---|---|---|---|
| NaLi | lithium sodium | 32.307 | 39.999 | -7.692 |
| CCl4 | Carbon tetrachloride | 7.706 | 10.002 | -2.297 |
| C5H5N | Pyridine | 7.728 | 9.493 | -1.765 |
| CH3SCH3 | Dimethyl sulfide | 5.813 | 7.550 | -1.737 |
| CFCl3 | Trichloromonofluoromethane | 6.262 | 7.931 | -1.669 |
| CH3Br | methyl bromide | 4.019 | 5.610 | -1.591 |
| CF2Cl2 | difluorodichloromethane | 4.803 | 6.370 | -1.568 |
| H2S | Hydrogen sulfide | 2.227 | 3.631 | -1.403 |
| CH3Cl | Methyl chloride | 3.056 | 4.416 | -1.360 |
| CF3Cl | Methane, chlorotrifluoro- | 3.398 | 4.740 | -1.342 |
| C2H2 | Acetylene | 2.218 | 3.487 | -1.269 |
| C6H14 | Hexane | 10.194 | 11.447 | -1.254 |
| HCl | Hydrogen chloride | 1.289 | 2.515 | -1.226 |
| C2H4 | Ethylene | 3.042 | 4.188 | -1.145 |
| CH2F2 | Methane, difluoro- | 2.061 | 3.200 | -1.139 |
| C3H6 | Cyclopropane | 4.539 | 5.640 | -1.101 |
| C5H12 | Pentane | 8.500 | 9.579 | -1.078 |
| CH2CCH2 | allene | 4.649 | 5.690 | -1.041 |
| CH3CH2OH | Ethanol | 4.108 | 5.112 | -1.004 |
| CH3OCH3 | Dimethyl ether | 4.157 | 5.160 | -1.003 |
| CH3CH2CH2CH3 | Butane | 6.773 | 7.688 | -0.914 |
| NO2 | Nitrogen dioxide | 2.004 | 2.910 | -0.906 |
| CH3CH2CH2CH3 | Butane | 6.829 | 7.688 | -0.859 |
| CH3COCH3 | Acetone | 5.264 | 6.096 | -0.832 |
| N2O | Nitrous oxide | 2.171 | 2.998 | -0.827 |
| NH3 | Ammonia | 1.313 | 2.103 | -0.790 |
| CH3NH2 | methyl amine | 2.971 | 3.754 | -0.782 |
| HCOOH | Formic acid | 2.547 | 3.319 | -0.772 |
| CH3NHCH3 | Dimethylamine | 4.686 | 5.447 | -0.761 |
| C3H8 | Propane | 5.176 | 5.921 | -0.746 |
| H2CO | Formaldehyde | 2.034 | 2.770 | -0.736 |
| CF4 | Carbon tetrafluoride | 2.116 | 2.824 | -0.709 |
| N(CH3)3 | Trimethylamine | 6.381 | 7.076 | -0.695 |
| C2H6 | Ethane | 3.541 | 4.226 | -0.685 |
| H2O | Water | 0.818 | 1.501 | -0.683 |
| CH3OH | Methyl alcohol | 2.453 | 3.081 | -0.628 |
| CO2 | Carbon dioxide | 1.908 | 2.507 | -0.599 |
| CH3CHO | Acetaldehyde | 3.698 | 4.278 | -0.580 |
| NO | Nitric oxide | 1.142 | 1.698 | -0.556 |
| CH3F | Methyl fluoride | 2.001 | 2.540 | -0.539 |
| CH4 | Methane | 1.914 | 2.448 | -0.534 |
| O2 | Oxygen diatomic | 1.034 | 1.562 | -0.528 |
| CO | Carbon monoxide | 1.442 | 1.953 | -0.511 |
| N2 | Nitrogen diatomic | 1.287 | 1.710 | -0.423 |
| HD | Deuterium hydride | 0.379 | 0.791 | -0.412 |
| H2 | Hydrogen diatomic | 0.379 | 0.787 | -0.408 |
| D2 | Deuterium diatomic | 0.379 | 0.783 | -0.404 |
| SO2 | Sulfur dioxide | 2.962 | 3.219 | -0.256 |