|
|
III.G.11. |
| species | name | calculated | experimental | difference |
|---|---|---|---|---|
| NaLi | lithium sodium | 9.322 | 39.999 | -30.678 |
| C6H14 | Hexane | 5.216 | 11.447 | -6.231 |
| CCl4 | Carbon tetrachloride | 4.258 | 10.002 | -5.745 |
| C5H12 | Pentane | 4.312 | 9.579 | -5.266 |
| CH3SCH3 | Dimethyl sulfide | 2.802 | 7.550 | -4.748 |
| C5H5N | Pyridine | 4.873 | 9.493 | -4.621 |
| CFCl3 | Trichloromonofluoromethane | 3.555 | 7.931 | -4.376 |
| CH3CH2CH2CH3 | Butane | 3.394 | 7.688 | -4.293 |
| CH3CH2CH2CH3 | Butane | 3.420 | 7.688 | -4.268 |
| N(CH3)3 | Trimethylamine | 3.342 | 7.076 | -3.734 |
| CF2Cl2 | difluorodichloromethane | 2.802 | 6.370 | -3.569 |
| C3H8 | Propane | 2.542 | 5.921 | -3.380 |
| C3H6 | Cyclopropane | 2.346 | 5.640 | -3.294 |
| CH3COCH3 | Acetone | 2.812 | 6.096 | -3.284 |
| CH3Cl | Methyl chloride | 1.406 | 4.416 | -3.010 |
| CH3NHCH3 | Dimethylamine | 2.448 | 5.447 | -2.999 |
| CH2CCH2 | allene | 2.700 | 5.690 | -2.990 |
| CH3OCH3 | Dimethyl ether | 2.207 | 5.160 | -2.953 |
| CH3CH2OH | Ethanol | 2.174 | 5.112 | -2.939 |
| H2S | Hydrogen sulfide | 0.888 | 3.631 | -2.743 |
| CF3Cl | Methane, chlorotrifluoro- | 2.046 | 4.740 | -2.694 |
| C2H4 | Ethylene | 1.592 | 4.188 | -2.595 |
| C2H6 | Ethane | 1.689 | 4.226 | -2.537 |
| CH3CHO | Acetaldehyde | 1.910 | 4.278 | -2.368 |
| C2H2 | Acetylene | 1.125 | 3.487 | -2.362 |
| CH3NH2 | methyl amine | 1.562 | 3.754 | -2.191 |
| CH2F2 | Methane, difluoro- | 1.143 | 3.200 | -2.057 |
| HCOOH | Formic acid | 1.483 | 3.319 | -1.836 |
| CH3OH | Methyl alcohol | 1.303 | 3.081 | -1.778 |
| H2CO | Formaldehyde | 0.993 | 2.770 | -1.776 |
| NO2 | Nitrogen dioxide | 1.175 | 2.910 | -1.736 |
| N2O | Nitrous oxide | 1.292 | 2.998 | -1.706 |
| SO2 | Sulfur dioxide | 1.613 | 3.219 | -1.606 |
| CH4 | Methane | 0.849 | 2.448 | -1.599 |
| CH3F | Methyl fluoride | 1.004 | 2.540 | -1.536 |
| CF4 | Carbon tetrafluoride | 1.306 | 2.824 | -1.519 |
| CO2 | Carbon dioxide | 1.074 | 2.507 | -1.433 |
| NH3 | Ammonia | 0.707 | 2.103 | -1.396 |
| CO | Carbon monoxide | 0.706 | 1.953 | -1.247 |
| NO | Nitric oxide | 0.564 | 1.698 | -1.134 |
| N2 | Nitrogen diatomic | 0.646 | 1.710 | -1.064 |
| H2O | Water | 0.447 | 1.501 | -1.054 |