|
|
III.G.11. |
| species | name | calculated | experimental | difference |
|---|---|---|---|---|
| CCl4 | Carbon tetrachloride | 6.815 | 10.002 | -3.188 |
| C6H5F | Fluorobenzene | 7.023 | 10.200 | -3.177 |
| C5H5N | Pyridine | 6.500 | 9.493 | -2.993 |
| CFCl3 | Trichloromonofluoromethane | 5.369 | 7.931 | -2.562 |
| C6H14 | Hexane | 8.964 | 11.447 | -2.483 |
| NaLi | lithium sodium | 37.527 | 39.999 | -2.472 |
| CF2Cl2 | difluorodichloromethane | 3.901 | 6.370 | -2.469 |
| CH3SCH3 | Dimethyl sulfide | 5.170 | 7.550 | -2.380 |
| CF3Cl | Methane, chlorotrifluoro- | 2.494 | 4.740 | -2.246 |
| C5H12 | Pentane | 7.489 | 9.579 | -2.089 |
| CH3Br | methyl bromide | 3.584 | 5.610 | -2.026 |
| CH2F2 | Methane, difluoro- | 1.468 | 3.200 | -1.732 |
| N(CH3)3 | Trimethylamine | 5.359 | 7.076 | -1.717 |
| CH3CH2CH2CH3 | Butane | 5.987 | 7.688 | -1.700 |
| CH3OCH3 | Dimethyl ether | 3.472 | 5.160 | -1.688 |
| CH3COCH3 | Acetone | 4.430 | 6.096 | -1.666 |
| CH3CH2CH2CH3 | Butane | 6.033 | 7.688 | -1.655 |
| C2H2 | Acetylene | 1.847 | 3.487 | -1.640 |
| H2S | Hydrogen sulfide | 1.998 | 3.631 | -1.633 |
| CH3CH2OH | Ethanol | 3.480 | 5.112 | -1.632 |
| CH3Cl | Methyl chloride | 2.824 | 4.416 | -1.592 |
| CF4 | Carbon tetrafluoride | 1.243 | 2.824 | -1.581 |
| C3H6 | Cyclopropane | 4.063 | 5.640 | -1.577 |
| CH3NHCH3 | Dimethylamine | 3.916 | 5.447 | -1.532 |
| CH2CCH2 | allene | 4.170 | 5.690 | -1.520 |
| HCOOH | Formic acid | 1.847 | 3.319 | -1.473 |
| C2H4 | Ethylene | 2.718 | 4.188 | -1.470 |
| HCl | Hydrogen chloride | 1.172 | 2.515 | -1.343 |
| N2O | Nitrous oxide | 1.657 | 2.998 | -1.340 |
| C3H8 | Propane | 4.588 | 5.921 | -1.334 |
| CH3NH2 | methyl amine | 2.426 | 3.754 | -1.327 |
| NO2 | Nitrogen dioxide | 1.620 | 2.910 | -1.290 |
| CH3CHO | Acetaldehyde | 3.051 | 4.278 | -1.227 |
| NH3 | Ammonia | 0.903 | 2.103 | -1.200 |
| H2CO | Formaldehyde | 1.608 | 2.770 | -1.161 |
| CO2 | Carbon dioxide | 1.405 | 2.507 | -1.103 |
| Ar | Argon atom | 0.569 | 1.664 | -1.095 |
| CH3OH | Methyl alcohol | 2.013 | 3.081 | -1.068 |
| C2H6 | Ethane | 3.161 | 4.226 | -1.065 |
| SO2 | Sulfur dioxide | 2.251 | 3.219 | -0.968 |
| H2O | Water | 0.554 | 1.501 | -0.947 |
| CH3F | Methyl fluoride | 1.600 | 2.540 | -0.940 |
| NO | Nitric oxide | 0.924 | 1.698 | -0.774 |
| CO | Carbon monoxide | 1.194 | 1.953 | -0.759 |
| CH4 | Methane | 1.697 | 2.448 | -0.751 |
| N2 | Nitrogen diatomic | 0.998 | 1.710 | -0.712 |
| C | Carbon atom | 1.056 | 1.760 | -0.704 |
| B | Boron atom | 2.351 | 3.030 | -0.679 |
| O2 | Oxygen diatomic | 0.931 | 1.562 | -0.630 |
| O | Oxygen atom | 0.192 | 0.802 | -0.610 |
| N | Nitrogen atom | 0.540 | 1.100 | -0.560 |
| F | Fluorine atom | 0.067 | 0.557 | -0.490 |
| Ne | Neon atom | 0.018 | 0.381 | -0.363 |
| Be | Beryllium atom | 6.088 | 5.600 | 0.488 |
| Li | Lithium atom | 26.868 | 24.330 | 2.538 |
| Na | Sodium atom | 28.955 | 24.110 | 4.846 |