|
|
III.G.11. |
| species | name | calculated | experimental | difference |
|---|---|---|---|---|
| NaLi | lithium sodium | 31.366 | 39.999 | -8.633 |
| CCl4 | Carbon tetrachloride | 7.455 | 10.002 | -2.547 |
| CFCl3 | Trichloromonofluoromethane | 5.958 | 7.931 | -1.973 |
| CF2Cl2 | difluorodichloromethane | 4.501 | 6.370 | -1.870 |
| CH3Br | methyl bromide | 3.766 | 5.610 | -1.844 |
| CF3Cl | Methane, chlorotrifluoro- | 3.127 | 4.740 | -1.614 |
| CH3SCH3 | Dimethyl sulfide | 5.970 | 7.550 | -1.580 |
| C6H5F | Fluorobenzene | 8.731 | 10.200 | -1.469 |
| C5H5N | Pyridine | 8.026 | 9.493 | -1.468 |
| H2S | Hydrogen sulfide | 2.275 | 3.631 | -1.356 |
| CH3Cl | Methyl chloride | 3.093 | 4.416 | -1.323 |
| HCl | Hydrogen chloride | 1.303 | 2.515 | -1.212 |
| CH2F2 | Methane, difluoro- | 1.989 | 3.200 | -1.211 |
| C2H2 | Acetylene | 2.420 | 3.487 | -1.066 |
| NO2 | Nitrogen dioxide | 1.844 | 2.910 | -1.066 |
| N2O | Nitrous oxide | 2.058 | 2.998 | -0.940 |
| CF4 | Carbon tetrafluoride | 1.889 | 2.824 | -0.936 |
| C2H4 | Ethylene | 3.255 | 4.188 | -0.933 |
| C3H6 | Cyclopropane | 4.760 | 5.640 | -0.880 |
| CH3CH2OH | Ethanol | 4.310 | 5.112 | -0.802 |
| CH3OCH3 | Dimethyl ether | 4.385 | 5.160 | -0.775 |
| CH2CCH2 | allene | 4.920 | 5.690 | -0.770 |
| HCOOH | Formic acid | 2.564 | 3.319 | -0.756 |
| NH3 | Ammonia | 1.351 | 2.103 | -0.752 |
| H2O | Water | 0.810 | 1.501 | -0.691 |
| H2CO | Formaldehyde | 2.092 | 2.770 | -0.678 |
| O2 | Oxygen diatomic | 0.893 | 1.562 | -0.669 |
| CO2 | Carbon dioxide | 1.841 | 2.507 | -0.666 |
| CH3NH2 | methyl amine | 3.092 | 3.754 | -0.661 |
| NO | Nitric oxide | 1.053 | 1.698 | -0.645 |
| C6H14 | Hexane | 10.831 | 11.447 | -0.616 |
| CH3COCH3 | Acetone | 5.504 | 6.096 | -0.593 |
| CH3OH | Methyl alcohol | 2.532 | 3.081 | -0.549 |
| C5H12 | Pentane | 9.045 | 9.579 | -0.534 |
| CH3F | Methyl fluoride | 2.020 | 2.540 | -0.520 |
| CO | Carbon monoxide | 1.461 | 1.953 | -0.492 |
| N2 | Nitrogen diatomic | 1.232 | 1.710 | -0.478 |
| CH3NHCH3 | Dimethylamine | 4.975 | 5.447 | -0.472 |
| CH3CH2CH2CH3 | Butane | 7.223 | 7.688 | -0.465 |
| C2H6 | Ethane | 3.763 | 4.226 | -0.463 |
| SO2 | Sulfur dioxide | 2.763 | 3.219 | -0.456 |
| CH4 | Methane | 2.038 | 2.448 | -0.410 |
| CH3CH2CH2CH3 | Butane | 7.279 | 7.688 | -0.409 |
| C3H8 | Propane | 5.524 | 5.921 | -0.397 |
| CH3CHO | Acetaldehyde | 3.885 | 4.278 | -0.394 |
| HD | Deuterium hydride | 0.478 | 0.791 | -0.313 |
| H2 | Hydrogen diatomic | 0.478 | 0.787 | -0.309 |
| D2 | Deuterium diatomic | 0.478 | 0.783 | -0.305 |
| N(CH3)3 | Trimethylamine | 6.842 | 7.076 | -0.234 |
| Be | Beryllium atom | 6.286 | 5.600 | 0.686 |