| Version | 2022.12.nohf |
| Tag | 57802 |
| Molecule - Descriptor | 1-propanimine, Propan-1-imine (CH3CH2CHNH) - Z isomer, v=0 |
| Isotope | parent |
| Hyperfine | No |
| Lines in DB | 2764 |
| Frequency max. (MHz) | 499015.6601 |
| J max. | 60 |
| Cite these data as | Margulès L., Remijan A., Belloche A., Motiyenko R.A., McGuire B.A., Xue C., Müller H.S.P., Garrod R.T., Menten K.M., Guillemin J.C. 2022, A&A, 663, A132 https://doi.org/10.1051/0004-6361/202243172 |
The partition function does not account for the relative energy of 3.16 kJ/mol of Z isomer with respect to E conformer
| T(K) | Qt | Qrot | Qvib |
|---|---|---|---|
| 300.0 | 259017.536 | 42855.317 | 6.044 |
| 225.0 | 95700.764 | 27884.838 | 3.432 |
| 150.0 | 29775.556 | 15160.67 | 1.964 |
| 75.0 | 6416.907 | 5351.882 | 1.199 |
| 37.5 | 1937.348 | 1891.941 | 1.024 |
| 18.75 | 670.391 | 669.721 | 1.001 |
| 9.375 | 237.536 | 237.536 | 1.0 |
Standard CAT file format of quantum numbers
Lille Spectroscopic Database