|
|
III.G.11. |
| species | name | calculated | experimental | difference |
|---|---|---|---|---|
| NaLi | lithium sodium | 30.901 | 39.999 | -9.099 |
| CCl4 | Carbon tetrachloride | 7.519 | 10.002 | -2.483 |
| C6H5F | Fluorobenzene | 8.343 | 10.200 | -1.857 |
| C5H5N | Pyridine | 7.646 | 9.493 | -1.847 |
| CFCl3 | Trichloromonofluoromethane | 6.111 | 7.931 | -1.820 |
| CH3SCH3 | Dimethyl sulfide | 5.782 | 7.550 | -1.768 |
| CF2Cl2 | difluorodichloromethane | 4.684 | 6.370 | -1.686 |
| CH3Br | methyl bromide | 3.961 | 5.610 | -1.649 |
| CF3Cl | Methane, chlorotrifluoro- | 3.310 | 4.740 | -1.431 |
| H2S | Hydrogen sulfide | 2.237 | 3.631 | -1.394 |
| CH3Cl | Methyl chloride | 3.036 | 4.416 | -1.380 |
| C2H2 | Acetylene | 2.213 | 3.487 | -1.274 |
| C6H14 | Hexane | 10.187 | 11.447 | -1.260 |
| HCl | Hydrogen chloride | 1.293 | 2.515 | -1.222 |
| CH2F2 | Methane, difluoro- | 2.046 | 3.200 | -1.154 |
| C2H4 | Ethylene | 3.041 | 4.188 | -1.147 |
| C3H6 | Cyclopropane | 4.518 | 5.640 | -1.122 |
| C5H12 | Pentane | 8.504 | 9.579 | -1.075 |
| CH2CCH2 | allene | 4.635 | 5.690 | -1.055 |
| CH3CH2OH | Ethanol | 4.111 | 5.112 | -1.001 |
| CH3OCH3 | Dimethyl ether | 4.164 | 5.160 | -0.996 |
| NO2 | Nitrogen dioxide | 1.963 | 2.910 | -0.948 |
| CH3CH2CH2CH3 | Butane | 6.789 | 7.688 | -0.899 |
| CH3COCH3 | Acetone | 5.240 | 6.096 | -0.857 |
| N2O | Nitrous oxide | 2.144 | 2.998 | -0.854 |
| CH3CH2CH2CH3 | Butane | 6.840 | 7.688 | -0.848 |
| NH3 | Ammonia | 1.290 | 2.103 | -0.812 |
| HCOOH | Formic acid | 2.529 | 3.319 | -0.791 |
| CH3NH2 | methyl amine | 2.966 | 3.754 | -0.788 |
| CF4 | Carbon tetrafluoride | 2.048 | 2.824 | -0.776 |
| CH3NHCH3 | Dimethylamine | 4.704 | 5.447 | -0.743 |
| H2CO | Formaldehyde | 2.039 | 2.770 | -0.730 |
| C3H8 | Propane | 5.191 | 5.921 | -0.730 |
| H2O | Water | 0.805 | 1.501 | -0.696 |
| N(CH3)3 | Trimethylamine | 6.402 | 7.076 | -0.673 |
| C2H6 | Ethane | 3.554 | 4.226 | -0.672 |
| CO2 | Carbon dioxide | 1.878 | 2.507 | -0.629 |
| CH3OH | Methyl alcohol | 2.454 | 3.081 | -0.627 |
| CH3CHO | Acetaldehyde | 3.697 | 4.278 | -0.581 |
| NO | Nitric oxide | 1.128 | 1.698 | -0.570 |
| O2 | Oxygen diatomic | 1.011 | 1.562 | -0.551 |
| CH3F | Methyl fluoride | 2.006 | 2.540 | -0.534 |
| CH4 | Methane | 1.928 | 2.448 | -0.520 |
| CO | Carbon monoxide | 1.437 | 1.953 | -0.517 |
| N2 | Nitrogen diatomic | 1.280 | 1.710 | -0.430 |
| HD | Deuterium hydride | 0.396 | 0.791 | -0.395 |
| H2 | Hydrogen diatomic | 0.396 | 0.787 | -0.391 |
| D2 | Deuterium diatomic | 0.396 | 0.783 | -0.387 |
| SO2 | Sulfur dioxide | 2.909 | 3.219 | -0.310 |
| Be | Beryllium atom | 5.335 | 5.600 | -0.265 |