|
|
III.G.11. |
| species | name | calculated | experimental | difference |
|---|---|---|---|---|
| NaLi | lithium sodium | 36.092 | 39.999 | -3.907 |
| CCl4 | Carbon tetrachloride | 8.269 | 10.002 | -1.733 |
| CF2Cl2 | difluorodichloromethane | 5.025 | 6.370 | -1.346 |
| C6H5F | Fluorobenzene | 8.898 | 10.200 | -1.302 |
| CFCl3 | Trichloromonofluoromethane | 6.637 | 7.931 | -1.294 |
| CH3SCH3 | Dimethyl sulfide | 6.261 | 7.550 | -1.289 |
| CF3Cl | Methane, chlorotrifluoro- | 3.464 | 4.740 | -1.276 |
| C5H5N | Pyridine | 8.231 | 9.493 | -1.262 |
| CH2F2 | Methane, difluoro- | 2.017 | 3.200 | -1.183 |
| C6H14 | Hexane | 10.477 | 11.447 | -0.970 |
| H2S | Hydrogen sulfide | 2.686 | 3.631 | -0.944 |
| CH3OCH3 | Dimethyl ether | 4.259 | 5.160 | -0.901 |
| CH3Cl | Methyl chloride | 3.525 | 4.416 | -0.891 |
| CH3CH2OH | Ethanol | 4.237 | 5.112 | -0.875 |
| CF4 | Carbon tetrafluoride | 2.021 | 2.824 | -0.804 |
| NO2 | Nitrogen dioxide | 2.116 | 2.910 | -0.795 |
| C3H6 | Cyclopropane | 4.847 | 5.640 | -0.793 |
| HCOOH | Formic acid | 2.530 | 3.319 | -0.790 |
| C5H12 | Pentane | 8.795 | 9.579 | -0.784 |
| HCl | Hydrogen chloride | 1.741 | 2.515 | -0.774 |
| N2O | Nitrous oxide | 2.229 | 2.998 | -0.768 |
| CH3COCH3 | Acetone | 5.373 | 6.096 | -0.723 |
| C2H2 | Acetylene | 2.817 | 3.487 | -0.669 |
| C2H4 | Ethylene | 3.531 | 4.188 | -0.656 |
| H2CO | Formaldehyde | 2.119 | 2.770 | -0.651 |
| CH3NH2 | methyl amine | 3.155 | 3.754 | -0.599 |
| CH3NHCH3 | Dimethylamine | 4.852 | 5.447 | -0.595 |
| NH3 | Ammonia | 1.511 | 2.103 | -0.592 |
| CO2 | Carbon dioxide | 1.944 | 2.507 | -0.563 |
| CH3CH2CH2CH3 | Butane | 7.129 | 7.688 | -0.559 |
| H2O | Water | 0.954 | 1.501 | -0.547 |
| N(CH3)3 | Trimethylamine | 6.553 | 7.076 | -0.523 |
| CH3OH | Methyl alcohol | 2.571 | 3.081 | -0.510 |
| CH3CHO | Acetaldehyde | 3.785 | 4.278 | -0.494 |
| CH3F | Methyl fluoride | 2.063 | 2.540 | -0.477 |
| NO | Nitric oxide | 1.245 | 1.698 | -0.453 |
| C3H8 | Propane | 5.472 | 5.921 | -0.450 |
| C2H6 | Ethane | 3.821 | 4.226 | -0.405 |
| O | Oxygen atom | 0.398 | 0.802 | -0.404 |
| CH2CCH2 | allene | 5.297 | 5.690 | -0.393 |
| H | Hydrogen atom | 0.279 | 0.667 | -0.387 |
| C | Carbon atom | 1.379 | 1.760 | -0.381 |
| O2 | Oxygen diatomic | 1.189 | 1.562 | -0.373 |
| SO2 | Sulfur dioxide | 2.852 | 3.219 | -0.367 |
| CO | Carbon monoxide | 1.589 | 1.953 | -0.364 |
| N | Nitrogen atom | 0.774 | 1.100 | -0.326 |
| N2 | Nitrogen diatomic | 1.387 | 1.710 | -0.323 |
| F | Fluorine atom | 0.236 | 0.557 | -0.321 |
| CH4 | Methane | 2.154 | 2.448 | -0.294 |
| Ne | Neon atom | 0.152 | 0.381 | -0.229 |
| HD | Deuterium hydride | 0.577 | 0.791 | -0.213 |
| H2 | Hydrogen diatomic | 0.577 | 0.787 | -0.210 |
| D2 | Deuterium diatomic | 0.577 | 0.783 | -0.206 |
| He | Helium atom | 0.094 | 0.208 | -0.114 |
| Li | Lithium atom | 25.000 | 24.330 | 0.670 |
| Be | Beryllium atom | 6.708 | 5.600 | 1.108 |
| Mg | Magnesium atom | 12.025 | 10.600 | 1.425 |
| Na | Sodium atom | 27.889 | 24.110 | 3.780 |