CH3CH(OH)CN
2-Hydroxypropionitrile, lactonitrile
Species tag 071516
Version1*
Date of EntryMar. 2025
ContributorH. S. P. Müller

The molecule exists in two conformers, the second one being about 1.4 kJ/mol (~170 K) higher in energy. This entry considers only the low energy conformer called A. The transition frequencies were taken from
(1) A. Insausti, E. R. Alonso, L. Kolesniková, A. Belloche, I. León, and S. Mato, 2025, Astrophys. J., 981, Art. No. 64.
Using Watson's S reduction instead of the A reduction, a fit of almost the same quality was achieved with five fewer spectroscopic parameters.
The calculation was truncated at J = 99. The calculation should be sufficiently accurate for observational purposes; caution is advised for transition frequencies with calculated uncertainties exceeding 0.2 MHz.
The 14N hyperfine splitting may be resolvable in astronomical observations. Therefore, a separate hyperfine calculation is provided up to J = 10 and up to 120 GHz. The partition function takes into account the spin-multiplicity of 14N.
The dipole moment components were determined by
(2) W. Caminati, R. Meyer, M. Oldani, and F. Scappini, 1985, J. Chem. Phys., 83, 3729.

Lines Listed20584
Frequency / GHz< 720
Max. J99
log STR0-10.0
log STR1-6.0
Isotope Corr. 
Egy / (cm–1)0.0
 µa / D1.335
 µb / D 
 µc / D0.764
 A8790.210
 B4005.839
 C2975.816
 Q(300.0)257473.1196
 Q(225.0)167127.9083
 Q(150.0)90919.9676
 Q(75.00)32133.0508
 Q(37.50)11363.9942
 Q(18.75)4022.1581
 Q(9.375)1425.5219
 Q(5.000)557.6705
 Q(2.725)226.1587
detected in ISM/CSMno


Database maintained by Holger S. P. Müller and Sven Thorwirth, programming by D. Roth and F. Schlöder