|
|
III.G.11. |
| species | name | calculated | experimental | difference |
|---|---|---|---|---|
| NaLi | lithium sodium | 31.224 | 39.999 | -8.776 |
| CH3Br | methyl bromide | 4.530 | 5.610 | -1.080 |
| H2S | Hydrogen sulfide | 2.688 | 3.631 | -0.942 |
| CH3Cl | Methyl chloride | 3.489 | 4.416 | -0.927 |
| HCl | Hydrogen chloride | 1.611 | 2.515 | -0.903 |
| CH3SCH3 | Dimethyl sulfide | 6.664 | 7.550 | -0.886 |
| CCl4 | Carbon tetrachloride | 9.196 | 10.002 | -0.806 |
| CH2F2 | Methane, difluoro- | 2.423 | 3.200 | -0.777 |
| C2H2 | Acetylene | 2.891 | 3.487 | -0.595 |
| CF2Cl2 | difluorodichloromethane | 5.779 | 6.370 | -0.592 |
| CF3Cl | Methane, chlorotrifluoro- | 4.170 | 4.740 | -0.571 |
| C3H6 | Cyclopropane | 5.157 | 5.640 | -0.483 |
| C2H4 | Ethylene | 3.708 | 4.188 | -0.480 |
| CFCl3 | Trichloromonofluoromethane | 7.474 | 7.931 | -0.457 |
| CH3CH2OH | Ethanol | 4.672 | 5.112 | -0.440 |
| CH3OCH3 | Dimethyl ether | 4.724 | 5.160 | -0.436 |
| H2O | Water | 1.083 | 1.501 | -0.418 |
| NH3 | Ammonia | 1.690 | 2.103 | -0.413 |
| H2CO | Formaldehyde | 2.362 | 2.770 | -0.407 |
| HD | Deuterium hydride | 0.396 | 0.791 | -0.395 |
| H2 | Hydrogen diatomic | 0.396 | 0.787 | -0.391 |
| N2O | Nitrous oxide | 2.607 | 2.998 | -0.390 |
| D2 | Deuterium diatomic | 0.396 | 0.783 | -0.387 |
| NO2 | Nitrogen dioxide | 2.524 | 2.910 | -0.386 |
| CH4 | Methane | 2.103 | 2.448 | -0.345 |
| C5H5N | Pyridine | 9.169 | 9.493 | -0.324 |
| C2H6 | Ethane | 3.907 | 4.226 | -0.319 |
| CH3F | Methyl fluoride | 2.240 | 2.540 | -0.300 |
| CH3NH2 | methyl amine | 3.464 | 3.754 | -0.289 |
| CH3OH | Methyl alcohol | 2.810 | 3.081 | -0.270 |
| O2 | Oxygen diatomic | 1.294 | 1.562 | -0.268 |
| CO2 | Carbon dioxide | 2.267 | 2.507 | -0.240 |
| NO | Nitric oxide | 1.465 | 1.698 | -0.234 |
| C6H5F | Fluorobenzene | 9.979 | 10.200 | -0.221 |
| HCOOH | Formic acid | 3.159 | 3.319 | -0.160 |
| CO | Carbon monoxide | 1.820 | 1.953 | -0.133 |
| CH2CCH2 | allene | 5.563 | 5.690 | -0.127 |
| C3H8 | Propane | 5.795 | 5.921 | -0.127 |
| CF4 | Carbon tetrafluoride | 2.701 | 2.824 | -0.123 |
| N2 | Nitrogen diatomic | 1.589 | 1.710 | -0.122 |
| C6H14 | Hexane | 11.350 | 11.447 | -0.097 |
| C5H12 | Pentane | 9.488 | 9.579 | -0.091 |
| CH3CH2CH2CH3 | Butane | 7.600 | 7.688 | -0.088 |
| CH3CH2CH2CH3 | Butane | 7.639 | 7.688 | -0.049 |
| CH3NHCH3 | Dimethylamine | 5.439 | 5.447 | -0.009 |
| CH3COCH3 | Acetone | 6.143 | 6.096 | 0.046 |
| CH3CHO | Acetaldehyde | 4.371 | 4.278 | 0.093 |
| SO2 | Sulfur dioxide | 3.577 | 3.219 | 0.358 |
| N(CH3)3 | Trimethylamine | 7.530 | 7.076 | 0.455 |
| Be | Beryllium atom | 6.397 | 5.600 | 0.797 |