|
|
III.G.11. |
| species | name | calculated | experimental | difference |
|---|---|---|---|---|
| NaLi | lithium sodium | 36.289 | 39.999 | -3.710 |
| CCl4 | Carbon tetrachloride | 7.053 | 10.002 | -2.949 |
| CFCl3 | Trichloromonofluoromethane | 5.591 | 7.931 | -2.340 |
| CF2Cl2 | difluorodichloromethane | 4.166 | 6.370 | -2.204 |
| CF3Cl | Methane, chlorotrifluoro- | 2.834 | 4.740 | -1.906 |
| C6H5F | Fluorobenzene | 8.315 | 10.200 | -1.885 |
| CH3Br | methyl bromide | 3.790 | 5.610 | -1.820 |
| C5H5N | Pyridine | 7.689 | 9.493 | -1.805 |
| CH3SCH3 | Dimethyl sulfide | 5.759 | 7.550 | -1.791 |
| Cl | Chlorine atom | 0.712 | 2.180 | -1.468 |
| CH2F2 | Methane, difluoro- | 1.751 | 3.200 | -1.449 |
| C6H14 | Hexane | 10.026 | 11.447 | -1.421 |
| CH3Cl | Methyl chloride | 3.009 | 4.416 | -1.407 |
| H2S | Hydrogen sulfide | 2.251 | 3.631 | -1.379 |
| CH3OCH3 | Dimethyl ether | 3.913 | 5.160 | -1.246 |
| HCl | Hydrogen chloride | 1.282 | 2.515 | -1.232 |
| C5H12 | Pentane | 8.404 | 9.579 | -1.175 |
| CH3CH2OH | Ethanol | 3.947 | 5.112 | -1.166 |
| CF4 | Carbon tetrafluoride | 1.664 | 2.824 | -1.160 |
| Ar | Argon atom | 0.513 | 1.664 | -1.151 |
| HCOOH | Formic acid | 2.249 | 3.319 | -1.071 |
| C2H2 | Acetylene | 2.420 | 3.487 | -1.066 |
| CH3COCH3 | Acetone | 5.047 | 6.096 | -1.049 |
| C3H6 | Cyclopropane | 4.615 | 5.640 | -1.025 |
| NO2 | Nitrogen dioxide | 1.893 | 2.910 | -1.018 |
| N2O | Nitrous oxide | 2.000 | 2.998 | -0.998 |
| N(CH3)3 | Trimethylamine | 6.131 | 7.076 | -0.945 |
| CH3CH2CH2CH3 | Butane | 6.749 | 7.688 | -0.939 |
| CH3NHCH3 | Dimethylamine | 4.511 | 5.447 | -0.936 |
| C2H4 | Ethylene | 3.266 | 4.188 | -0.922 |
| CH3CH2CH2CH3 | Butane | 6.796 | 7.688 | -0.892 |
| H2CO | Formaldehyde | 1.901 | 2.770 | -0.869 |
| CH3NH2 | methyl amine | 2.895 | 3.754 | -0.859 |
| CO2 | Carbon dioxide | 1.699 | 2.507 | -0.808 |
| NH3 | Ammonia | 1.318 | 2.103 | -0.785 |
| CH2CCH2 | allene | 4.919 | 5.690 | -0.771 |
| CH3CHO | Acetaldehyde | 3.517 | 4.278 | -0.761 |
| CH3OH | Methyl alcohol | 2.322 | 3.081 | -0.759 |
| C3H8 | Propane | 5.192 | 5.921 | -0.730 |
| H2O | Water | 0.797 | 1.501 | -0.704 |
| CH3F | Methyl fluoride | 1.838 | 2.540 | -0.702 |
| C2H6 | Ethane | 3.584 | 4.226 | -0.643 |
| NO | Nitric oxide | 1.085 | 1.698 | -0.613 |
| SO2 | Sulfur dioxide | 2.622 | 3.219 | -0.596 |
| H | Hydrogen atom | 0.087 | 0.667 | -0.580 |
| C | Carbon atom | 1.222 | 1.760 | -0.538 |
| CO | Carbon monoxide | 1.429 | 1.953 | -0.525 |
| O2 | Oxygen diatomic | 1.052 | 1.562 | -0.510 |
| O | Oxygen atom | 0.295 | 0.802 | -0.507 |
| CH4 | Methane | 1.955 | 2.448 | -0.493 |
| B | Boron atom | 2.557 | 3.030 | -0.473 |
| N2 | Nitrogen diatomic | 1.242 | 1.710 | -0.468 |
| N | Nitrogen atom | 0.667 | 1.100 | -0.433 |
| F | Fluorine atom | 0.150 | 0.557 | -0.407 |
| HD | Deuterium hydride | 0.432 | 0.791 | -0.359 |
| H2 | Hydrogen diatomic | 0.432 | 0.787 | -0.356 |
| D2 | Deuterium diatomic | 0.432 | 0.783 | -0.352 |
| He | Helium atom | 0.094 | 0.208 | -0.114 |
| Li | Lithium atom | 25.138 | 24.330 | 0.808 |
| Be | Beryllium atom | 6.570 | 5.600 | 0.970 |
| Na | Sodium atom | 27.991 | 24.110 | 3.882 |