Table C.3
Physical quantities of new or related chemical species.
| Species | Edes (K) | ΔHf (298 K) (kcal mol-1) | Notes |
|---|---|---|---|
| H2O | 4815 | −57.80 | Edes: Jin et al. (in prep.) |
| CH3OH | 5534 | −48.00 | Edes: Garrod et al. (2008), Garrod (2013) |
| ĊH2CH2OH | 4950 | −5.70 | |
| CH3ĊHOH | 4950 | −12.91 | |
| C2H5OH | 5400 | −56.23 | Edes: Jin et al. (in prep.) |
| ĊH2CH2CH2OH | 5675 | −12.28 | ΔHf based on C3H8 − ĊH2CH2CH3 |
| CH3ĊHCH2OH | 5675 | −14.18 | ΔHf based on C3H8 − CH3ĊHCH3 |
| CH3CH2ĊHOH | 5675 | −14.18 | ΔHf based on C3H8 − CH3ĊHCH3 |
| CH3CH2CH2Ȯ | 5462 | −9.00 | |
| n-C3H7OH | 6125 | −61.20 | |
| ĊH2CH(OH)CH3 | 5675 | −16.27 | ΔHf based on C3H8 − ĊH2CH2CH3 |
| CH2Ċ(OH)CH3 | 5675 | −18.17 | ΔHf based on C3H8 − CH3ĊHCH3 |
| CH3CH(Ȯ)CH3 | 5462 | −9.00 | ΔHf based on n-C3H7Ȯ |
| i-C3H7OH | 6125 | −65.19 | |
| ĊH2CH2CH3 | 5637 | +23.90 | Edes: Garrod et al. (2017) |
| CH3ĊHCH3 | 5637 | +22.00 | Edes: Garrod et al. (2017) |
| C3H8 | 6087 | −25.02 | Edes: Garrod et al. (2017) |
| CH3CN | 6150 | +17.70 | Edes: Bertin et al. (2017); used by Garrod et al. (2022) |
| C2H5CN | 6875 | +12.71 | Edes: Garrod et al. (2022) |
| n-C3H7CN | 7600 | +7.46 | Edes: Garrod et al. (2022) |
| i-C3H7CN | 7600 | +5.44 | Edes: Garrod et al. (2022) |
Notes. Edes is the desorption energy and ΔHf the enthalpy of formation. Dots indicate which atom in a molecule 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 are obtained from the NIST WebBook database; where not available, estimates were adopted as described in the Notes column.
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