|
|
III.G.11. |
| species | name | calculated | experimental | difference |
|---|---|---|---|---|
| NaLi | lithium sodium | 31.098 | 39.999 | -8.901 |
| CCl4 | Carbon tetrachloride | 7.862 | 10.002 | -2.141 |
| CH3Br | methyl bromide | 3.838 | 5.610 | -1.772 |
| CFCl3 | Trichloromonofluoromethane | 6.261 | 7.931 | -1.670 |
| CF2Cl2 | difluorodichloromethane | 4.701 | 6.370 | -1.669 |
| CF3Cl | Methane, chlorotrifluoro- | 3.252 | 4.740 | -1.489 |
| CH3SCH3 | Dimethyl sulfide | 6.097 | 7.550 | -1.453 |
| C6H5F | Fluorobenzene | 8.802 | 10.200 | -1.398 |
| C5H5N | Pyridine | 8.097 | 9.493 | -1.396 |
| H2S | Hydrogen sulfide | 2.319 | 3.631 | -1.312 |
| CH3Cl | Methyl chloride | 3.120 | 4.416 | -1.296 |
| HCl | Hydrogen chloride | 1.306 | 2.515 | -1.209 |
| CH2F2 | Methane, difluoro- | 1.995 | 3.200 | -1.205 |
| C2H2 | Acetylene | 2.444 | 3.487 | -1.043 |
| NO2 | Nitrogen dioxide | 1.943 | 2.910 | -0.967 |
| C2H4 | Ethylene | 3.283 | 4.188 | -0.905 |
| CF4 | Carbon tetrafluoride | 1.972 | 2.824 | -0.853 |
| N2O | Nitrous oxide | 2.152 | 2.998 | -0.846 |
| C3H6 | Cyclopropane | 4.841 | 5.640 | -0.799 |
| CH3OCH3 | Dimethyl ether | 4.380 | 5.160 | -0.779 |
| CH3CH2OH | Ethanol | 4.344 | 5.112 | -0.768 |
| NH3 | Ammonia | 1.363 | 2.103 | -0.740 |
| CH2CCH2 | allene | 4.977 | 5.690 | -0.713 |
| HCOOH | Formic acid | 2.620 | 3.319 | -0.699 |
| H2O | Water | 0.813 | 1.501 | -0.688 |
| H2CO | Formaldehyde | 2.099 | 2.770 | -0.671 |
| CH3NH2 | methyl amine | 3.108 | 3.754 | -0.645 |
| O2 | Oxygen diatomic | 0.951 | 1.562 | -0.611 |
| CO2 | Carbon dioxide | 1.903 | 2.507 | -0.604 |
| NO | Nitric oxide | 1.114 | 1.698 | -0.584 |
| CH3OH | Methyl alcohol | 2.524 | 3.081 | -0.557 |
| C6H14 | Hexane | 10.909 | 11.447 | -0.538 |
| CH3F | Methyl fluoride | 2.005 | 2.540 | -0.534 |
| CH3COCH3 | Acetone | 5.613 | 6.096 | -0.483 |
| C5H12 | Pentane | 9.120 | 9.579 | -0.459 |
| CH3NHCH3 | Dimethylamine | 5.000 | 5.447 | -0.448 |
| C2H6 | Ethane | 3.797 | 4.226 | -0.429 |
| N2 | Nitrogen diatomic | 1.299 | 1.710 | -0.411 |
| CO | Carbon monoxide | 1.543 | 1.953 | -0.410 |
| CH4 | Methane | 2.038 | 2.448 | -0.410 |
| CH3CH2CH2CH3 | Butane | 7.291 | 7.688 | -0.397 |
| CH3CH2CH2CH3 | Butane | 7.350 | 7.688 | -0.337 |
| C3H8 | Propane | 5.585 | 5.921 | -0.336 |
| CH3CHO | Acetaldehyde | 3.957 | 4.278 | -0.321 |
| SO2 | Sulfur dioxide | 2.902 | 3.219 | -0.317 |
| N(CH3)3 | Trimethylamine | 6.903 | 7.076 | -0.172 |
| Be | Beryllium atom | 6.267 | 5.600 | 0.667 |