|
|
III.G.11. |
| species | name | calculated | experimental | difference |
|---|---|---|---|---|
| NaLi | lithium sodium | 33.248 | 39.999 | -6.752 |
| C5H5N | Pyridine | 7.820 | 9.493 | -1.673 |
| CH3SCH3 | Dimethyl sulfide | 5.990 | 7.550 | -1.560 |
| CCl4 | Carbon tetrachloride | 8.492 | 10.002 | -1.510 |
| C6H14 | Hexane | 10.011 | 11.447 | -1.436 |
| C5H12 | Pentane | 8.365 | 9.579 | -1.213 |
| C3H6 | Cyclopropane | 4.547 | 5.640 | -1.093 |
| C2H2 | Acetylene | 2.422 | 3.487 | -1.064 |
| H2S | Hydrogen sulfide | 2.591 | 3.631 | -1.040 |
| CH3Br | methyl bromide | 4.581 | 5.610 | -1.029 |
| CH2F2 | Methane, difluoro- | 2.172 | 3.200 | -1.028 |
| CH3OCH3 | Dimethyl ether | 4.132 | 5.160 | -1.027 |
| C2H4 | Ethylene | 3.163 | 4.188 | -1.025 |
| CF2Cl2 | difluorodichloromethane | 5.349 | 6.370 | -1.021 |
| CH3Cl | Methyl chloride | 3.400 | 4.416 | -1.016 |
| CH3CH2OH | Ethanol | 4.099 | 5.112 | -1.013 |
| CH3CH2CH2CH3 | Butane | 6.688 | 7.688 | -1.000 |
| CFCl3 | Trichloromonofluoromethane | 6.933 | 7.931 | -0.998 |
| CH3CH2CH2CH3 | Butane | 6.736 | 7.688 | -0.951 |
| CF3Cl | Methane, chlorotrifluoro- | 3.796 | 4.740 | -0.945 |
| CH2CCH2 | allene | 4.808 | 5.690 | -0.882 |
| CH3COCH3 | Acetone | 5.230 | 6.096 | -0.866 |
| CH3NHCH3 | Dimethylamine | 4.630 | 5.447 | -0.817 |
| N(CH3)3 | Trimethylamine | 6.270 | 7.076 | -0.805 |
| HCl | Hydrogen chloride | 1.712 | 2.515 | -0.802 |
| C3H8 | Propane | 5.125 | 5.921 | -0.797 |
| CH3NH2 | methyl amine | 2.980 | 3.754 | -0.774 |
| NO2 | Nitrogen dioxide | 2.180 | 2.910 | -0.730 |
| NH3 | Ammonia | 1.386 | 2.103 | -0.717 |
| HCOOH | Formic acid | 2.608 | 3.319 | -0.712 |
| C2H6 | Ethane | 3.536 | 4.226 | -0.690 |
| H2CO | Formaldehyde | 2.094 | 2.770 | -0.676 |
| N2O | Nitrous oxide | 2.331 | 2.998 | -0.666 |
| CH3OH | Methyl alcohol | 2.496 | 3.081 | -0.585 |
| CH3CHO | Acetaldehyde | 3.700 | 4.278 | -0.578 |
| H2O | Water | 0.926 | 1.501 | -0.575 |
| CH4 | Methane | 1.956 | 2.448 | -0.492 |
| CF4 | Carbon tetrafluoride | 2.342 | 2.824 | -0.482 |
| CH3F | Methyl fluoride | 2.071 | 2.540 | -0.469 |
| CO2 | Carbon dioxide | 2.056 | 2.507 | -0.451 |
| HD | Deuterium hydride | 0.374 | 0.791 | -0.416 |
| NO | Nitric oxide | 1.283 | 1.698 | -0.415 |
| H2 | Hydrogen diatomic | 0.374 | 0.787 | -0.413 |
| D2 | Deuterium diatomic | 0.374 | 0.783 | -0.409 |
| CO | Carbon monoxide | 1.546 | 1.953 | -0.407 |
| O2 | Oxygen diatomic | 1.192 | 1.562 | -0.370 |
| N2 | Nitrogen diatomic | 1.403 | 1.710 | -0.307 |
| SO2 | Sulfur dioxide | 3.047 | 3.219 | -0.171 |