|
|
III.G.11. |
| species | name | calculated | experimental | difference |
|---|---|---|---|---|
| NaLi | lithium sodium | 33.052 | 39.999 | -6.948 |
| Li | Lithium atom | 20.908 | 24.330 | -3.422 |
| Na | Sodium atom | 22.930 | 24.110 | -1.180 |
| CH3Br | methyl bromide | 4.626 | 5.610 | -0.984 |
| CCl4 | Carbon tetrachloride | 9.032 | 10.002 | -0.971 |
| CH2F2 | Methane, difluoro- | 2.353 | 3.200 | -0.847 |
| H2S | Hydrogen sulfide | 2.834 | 3.631 | -0.797 |
| CH3SCH3 | Dimethyl sulfide | 6.775 | 7.550 | -0.776 |
| CF3Cl | Methane, chlorotrifluoro- | 3.966 | 4.740 | -0.775 |
| CF2Cl2 | difluorodichloromethane | 5.608 | 6.370 | -0.763 |
| HCl | Hydrogen chloride | 1.800 | 2.515 | -0.715 |
| CH3Cl | Methyl chloride | 3.722 | 4.416 | -0.694 |
| NO2 | Nitrogen dioxide | 2.242 | 2.910 | -0.669 |
| C5H5N | Pyridine | 8.831 | 9.493 | -0.662 |
| CFCl3 | Trichloromonofluoromethane | 7.307 | 7.931 | -0.624 |
| C2H2 | Acetylene | 2.917 | 3.487 | -0.570 |
| N2O | Nitrous oxide | 2.436 | 2.998 | -0.562 |
| C2H4 | Ethylene | 3.659 | 4.188 | -0.529 |
| O2 | Oxygen diatomic | 1.137 | 1.562 | -0.425 |
| H2O | Water | 1.093 | 1.501 | -0.408 |
| NH3 | Ammonia | 1.698 | 2.103 | -0.405 |
| C3H6 | Cyclopropane | 5.236 | 5.640 | -0.404 |
| NO | Nitric oxide | 1.307 | 1.698 | -0.391 |
| CF4 | Carbon tetrafluoride | 2.443 | 2.824 | -0.382 |
| H2CO | Formaldehyde | 2.388 | 2.770 | -0.382 |
| CH3CH2OH | Ethanol | 4.780 | 5.112 | -0.333 |
| HCOOH | Formic acid | 2.998 | 3.319 | -0.321 |
| CO2 | Carbon dioxide | 2.213 | 2.507 | -0.294 |
| CH3OCH3 | Dimethyl ether | 4.868 | 5.160 | -0.292 |
| N2 | Nitrogen diatomic | 1.463 | 1.710 | -0.247 |
| CH3NH2 | methyl amine | 3.519 | 3.754 | -0.235 |
| CO | Carbon monoxide | 1.728 | 1.953 | -0.225 |
| CH3F | Methyl fluoride | 2.317 | 2.540 | -0.223 |
| CH2CCH2 | allene | 5.475 | 5.690 | -0.215 |
| CH3OH | Methyl alcohol | 2.897 | 3.081 | -0.183 |
| H2 | Hydrogen diatomic | 0.613 | 0.787 | -0.174 |
| D2 | Deuterium diatomic | 0.613 | 0.783 | -0.170 |
| CH4 | Methane | 2.327 | 2.448 | -0.121 |
| C2H6 | Ethane | 4.160 | 4.226 | -0.066 |
| CH3COCH3 | Acetone | 6.100 | 6.096 | 0.003 |
| CH3CHO | Acetaldehyde | 4.321 | 4.278 | 0.043 |
| CH3NHCH3 | Dimethylamine | 5.494 | 5.447 | 0.046 |
| SO2 | Sulfur dioxide | 3.277 | 3.219 | 0.059 |
| HD | Deuterium hydride | 0.853 | 0.791 | 0.062 |
| C3H8 | Propane | 6.019 | 5.921 | 0.097 |
| CH3CH2CH2CH3 | Butane | 7.806 | 7.688 | 0.118 |
| C5H12 | Pentane | 9.758 | 9.579 | 0.179 |
| CH3CH2CH2CH3 | Butane | 7.881 | 7.688 | 0.193 |
| C6H14 | Hexane | 11.659 | 11.447 | 0.212 |
| N(CH3)3 | Trimethylamine | 7.492 | 7.076 | 0.416 |
| Be | Beryllium atom | 6.354 | 5.600 | 0.754 |