|
|
III.G.11. |
| species | name | calculated | experimental | difference |
|---|---|---|---|---|
| NaLi | lithium sodium | 34.534 | 39.999 | -5.465 |
| CCl4 | Carbon tetrachloride | 6.912 | 10.002 | -3.090 |
| C6H5F | Fluorobenzene | 7.504 | 10.200 | -2.696 |
| C5H5N | Pyridine | 6.968 | 9.493 | -2.525 |
| CFCl3 | Trichloromonofluoromethane | 5.461 | 7.931 | -2.470 |
| CH3Br | methyl bromide | 3.207 | 5.610 | -2.403 |
| CF2Cl2 | difluorodichloromethane | 4.020 | 6.370 | -2.351 |
| C6H14 | Hexane | 9.276 | 11.447 | -2.172 |
| CF3Cl | Methane, chlorotrifluoro- | 2.674 | 4.740 | -2.066 |
| CH3SCH3 | Dimethyl sulfide | 5.582 | 7.550 | -1.968 |
| C5H12 | Pentane | 7.764 | 9.579 | -1.815 |
| Li | Lithium atom | 22.576 | 24.330 | -1.754 |
| CH2F2 | Methane, difluoro- | 1.598 | 3.200 | -1.602 |
| CH3Cl | Methyl chloride | 2.840 | 4.416 | -1.576 |
| H2S | Hydrogen sulfide | 2.065 | 3.631 | -1.566 |
| CH3OCH3 | Dimethyl ether | 3.640 | 5.160 | -1.520 |
| HCl | Hydrogen chloride | 1.001 | 2.515 | -1.514 |
| CH3CH2OH | Ethanol | 3.621 | 5.112 | -1.491 |
| CH3CH2CH2CH3 | Butane | 6.226 | 7.688 | -1.462 |
| C2H2 | Acetylene | 2.029 | 3.487 | -1.458 |
| N(CH3)3 | Trimethylamine | 5.642 | 7.076 | -1.434 |
| Ar | Argon atom | 0.237 | 1.664 | -1.427 |
| CH3CH2CH2CH3 | Butane | 6.267 | 7.688 | -1.421 |
| CH3COCH3 | Acetone | 4.685 | 6.096 | -1.411 |
| C3H6 | Cyclopropane | 4.255 | 5.640 | -1.385 |
| CH3NHCH3 | Dimethylamine | 4.111 | 5.447 | -1.337 |
| CF4 | Carbon tetrafluoride | 1.533 | 2.824 | -1.291 |
| C2H4 | Ethylene | 2.904 | 4.188 | -1.283 |
| HCOOH | Formic acid | 2.061 | 3.319 | -1.259 |
| CH2CCH2 | allene | 4.453 | 5.690 | -1.237 |
| CH3NH2 | methyl amine | 2.540 | 3.754 | -1.213 |
| NH3 | Ammonia | 0.949 | 2.103 | -1.154 |
| C3H8 | Propane | 4.777 | 5.921 | -1.145 |
| N2O | Nitrous oxide | 1.928 | 2.998 | -1.070 |
| NO2 | Nitrogen dioxide | 1.874 | 2.910 | -1.036 |
| CH3CHO | Acetaldehyde | 3.253 | 4.278 | -1.025 |
| H2CO | Formaldehyde | 1.757 | 2.770 | -1.012 |
| CH3OH | Methyl alcohol | 2.106 | 3.081 | -0.974 |
| C2H6 | Ethane | 3.293 | 4.226 | -0.933 |
| H2O | Water | 0.587 | 1.501 | -0.914 |
| CO2 | Carbon dioxide | 1.645 | 2.507 | -0.862 |
| CH3F | Methyl fluoride | 1.687 | 2.540 | -0.853 |
| B | Boron atom | 2.253 | 3.030 | -0.777 |
| CH4 | Methane | 1.776 | 2.448 | -0.672 |
| C | Carbon atom | 1.119 | 1.760 | -0.641 |
| CO | Carbon monoxide | 1.318 | 1.953 | -0.635 |
| O | Oxygen atom | 0.241 | 0.802 | -0.561 |
| N2 | Nitrogen diatomic | 1.173 | 1.710 | -0.537 |
| O2 | Oxygen diatomic | 1.047 | 1.562 | -0.515 |
| N | Nitrogen atom | 0.636 | 1.100 | -0.464 |
| F | Fluorine atom | 0.093 | 0.557 | -0.464 |
| Ne | Neon atom | 0.036 | 0.381 | -0.345 |
| SO2 | Sulfur dioxide | 3.140 | 3.219 | -0.078 |
| Be | Beryllium atom | 5.598 | 5.600 | -0.002 |
| Na | Sodium atom | 27.595 | 24.110 | 3.486 |