|
|
III.G.11. |
| species | name | calculated | experimental | difference |
|---|---|---|---|---|
| NaLi | lithium sodium | 33.203 | 39.999 | -6.796 |
| CCl4 | Carbon tetrachloride | 8.782 | 10.002 | -1.220 |
| CH3Br | methyl bromide | 4.446 | 5.610 | -1.164 |
| CH3SCH3 | Dimethyl sulfide | 6.396 | 7.550 | -1.154 |
| H2S | Hydrogen sulfide | 2.577 | 3.631 | -1.053 |
| CH3Cl | Methyl chloride | 3.384 | 4.416 | -1.032 |
| HCl | Hydrogen chloride | 1.548 | 2.515 | -0.967 |
| CH2F2 | Methane, difluoro- | 2.282 | 3.200 | -0.918 |
| CF2Cl2 | difluorodichloromethane | 5.516 | 6.370 | -0.854 |
| CFCl3 | Trichloromonofluoromethane | 7.142 | 7.931 | -0.789 |
| CF3Cl | Methane, chlorotrifluoro- | 3.970 | 4.740 | -0.771 |
| CH3OCH3 | Dimethyl ether | 4.441 | 5.160 | -0.719 |
| CH3CH2OH | Ethanol | 4.412 | 5.112 | -0.701 |
| C2H2 | Acetylene | 2.803 | 3.487 | -0.683 |
| C3H6 | Cyclopropane | 4.963 | 5.640 | -0.677 |
| C6H14 | Hexane | 10.775 | 11.447 | -0.672 |
| C5H5N | Pyridine | 8.864 | 9.493 | -0.629 |
| C2H4 | Ethylene | 3.599 | 4.188 | -0.589 |
| C5H12 | Pentane | 9.009 | 9.579 | -0.570 |
| C6H5F | Fluorobenzene | 9.644 | 10.200 | -0.556 |
| H2CO | Formaldehyde | 2.244 | 2.770 | -0.526 |
| NH3 | Ammonia | 1.582 | 2.103 | -0.520 |
| CH3CH2CH2CH3 | Butane | 7.171 | 7.688 | -0.517 |
| H2O | Water | 1.015 | 1.501 | -0.486 |
| C2H6 | Ethane | 3.742 | 4.226 | -0.484 |
| CH3NH2 | methyl amine | 3.275 | 3.754 | -0.478 |
| N2O | Nitrous oxide | 2.530 | 2.998 | -0.467 |
| NO2 | Nitrogen dioxide | 2.452 | 2.910 | -0.459 |
| CH3CH2CH2CH3 | Butane | 7.255 | 7.688 | -0.433 |
| CH4 | Methane | 2.016 | 2.448 | -0.432 |
| CH3OH | Methyl alcohol | 2.663 | 3.081 | -0.418 |
| HD | Deuterium hydride | 0.373 | 0.791 | -0.417 |
| H2 | Hydrogen diatomic | 0.373 | 0.787 | -0.414 |
| C3H8 | Propane | 5.508 | 5.921 | -0.413 |
| D2 | Deuterium diatomic | 0.373 | 0.783 | -0.410 |
| CH3F | Methyl fluoride | 2.134 | 2.540 | -0.406 |
| HCOOH | Formic acid | 2.952 | 3.319 | -0.367 |
| CH3NHCH3 | Dimethylamine | 5.095 | 5.447 | -0.352 |
| CO2 | Carbon dioxide | 2.184 | 2.507 | -0.324 |
| CH3COCH3 | Acetone | 5.792 | 6.096 | -0.304 |
| CH2CCH2 | allene | 5.388 | 5.690 | -0.302 |
| NO | Nitric oxide | 1.410 | 1.698 | -0.288 |
| O2 | Oxygen diatomic | 1.280 | 1.562 | -0.282 |
| CF4 | Carbon tetrafluoride | 2.554 | 2.824 | -0.271 |
| CO | Carbon monoxide | 1.737 | 1.953 | -0.216 |
| CH3CHO | Acetaldehyde | 4.094 | 4.278 | -0.184 |
| N2 | Nitrogen diatomic | 1.530 | 1.710 | -0.180 |
| N(CH3)3 | Trimethylamine | 7.007 | 7.076 | -0.069 |
| SO2 | Sulfur dioxide | 3.420 | 3.219 | 0.201 |