Table B.1
Physical quantities of new or related chemical species.
| Species | Binding energy | Enthalpy of formation, ΔHf(298 K) | Notes |
| (K) | (kcal mol-1) | ||
|
|
|||
| CH3CN | 4680 | +17.70 | |
| C2H2CN | 4187 | +105.84 | |
| C2H3CN | 4637 | +42.95 | |
 H2CH2CN |
5087 | +55.13 | Based on H2CH2CH3 – CH3HCH3 |
| CH3HCN |
5087 | +53.23 | |
| C2H5CN | 5537 | +12.71 | |
| H2CH2CH2CN |
6787 | +56.38 | Based on C3H8 – H2CH2CH3 |
| CH3HCH2CN |
6787 | +54.48 | Based on C3H8 – CH3HCH3 |
| CH3CH2HCN |
6787 | +54.48 | Based on C3H8 – CH3HCH3 |
| n-C3H7CN | 7237 | +7.46 | |
| H2CH(CH3)CN |
6787 | +54.36 | Based on C3H8 – H2CH2CH3 |
| CH3(CH3)CN |
6787 | +52.46 | Based on C3H8 – CH3HCH3 |
| i-C3H7CN | 7237 | +5.44 | |
| CH3CH2HCH2CN |
8487 | – | |
| n-C4H9CN | 8937 | +2.65 | |
| i-C4H9CN | 8937 | +0.58 | s-C4H9CN |
| s-C4H9CN | 8937 | +0.58 | |
| t-C4H9CN | 8937 | –0.79 | |
| H2CH2CH3 |
5637 | +23.90 | |
| CH3HCH3 |
5637 | +22.00 | |
| C3H8 | 6087 | –25.02 | |
| H2CH2CH2CH3 |
7337 | +17.90 | Based on H2CH2CH3 – CH3HCH3H |
| CH3HCH2CH3 |
7337 | +16.00 | |
| n-C4H10 | 7787 | -30.03 | |
| H2CH(CH3)CH3 |
7337 | +17.00 | |
| CH3(CH3)CH3 |
7337 | +15.10 | Based on H2CH2CH3 – CH3HCH3 |
| i-C4H10 | 7787 | –32.07 | |
| n-C5H12 | 9487 | –35.08 | |
| i-C5H12 | 9487 | –36.73 | |
| neo-C5H12 | 9487 | –40.14 | |
Notes. Dots indicate which carbon atom hosts the radical site (i.e. an unpaired electron), where appropriate. As in previous models, binding energies are representative of physisorption on an amorphous water ice surface. Enthalpies of formation obtained from the NIST WebBook database; where not available, estimates were adopted as described in the Notes column.
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