HCCCHO
Propynal
Species tag 054510
Version2*
Date of EntryDec. 2024
ContributorH. S. P. Müller

The data set was replaced entirely with respect to the first entry from Dec. 2008. The linelist is based on the one provided by
(1) A. J. Remijan, Z. T. P. Fried, I. R. Cooke, G. Wenzel, R. Loomis, C. N. Shingledecker, A. Lipnicky, C. Xue, M. C. McCarthy, and B. A. McGuire, 2024, Astrophys. J. 976, Art. No. 105.
The paper present a small number of accurate microwave transition frequencies. The data set also includes oart of the microwave to millimeter wave data fromby
(2) A. Jabri, L. Kolesniková, E. R. Alonso, I. León, S. Mata, and J. L. Alonso, 2020, J. Mol. Spectrosc. 372, Art. No. 111333;
as well as millimeter wave data truncated after Ka = 14 from
(3) E. G. Robertson, M. Ruzi, D. McNaughton, L. Margulès, R. A. Motiyenko, and J.-C. Guillemin, 2023, J. Mol. Spectrosc. 394, Art. No. 111786.
Uncertainties from (3) and the part used from (2) appear to be judged conservatively, the were assumed to be 2σ values. Among the data from (2) not used in (1), there were several transitions with low Ka displaying larger residuals. Therefore, these data were not used in this compilation as well.
As indicated in (3), the ground vibrational state is perturbed somewhat at Ka = 10 and more severely at Ka = 14 and some higher ones. Therefore, calculations with Ka = 10 and 14 should be viewed with some and great caution, respectively. Calculations with uncertainties larger than 0.2 MHz should also be viewed with caution.
The dipole moment was reported in
(4) R. D. Brown and P. D. Godfrey, 1984, Aust. J. Chem. 37, 1951.

Lines Listed8966
Frequency / GHz< 2000
Max. J108
log STR0-10.0
log STR1-5.5
Isotope Corr. 
Egy / (cm–1)0.0
 µa / D2.359
 µb / D1.468
 µc / D 
 A / MHz68035.258
 B / MHz4826.224
 C / MHz4499.592
 Q(300.0)22988.1362
 Q(225.0)14901.4703
 Q(150.0)8095.6411
 Q(75.00)2857.5575
 Q(37.50)1010.1920
 Q(18.75)357.6531
 Q(9.375)126.9039
 Q(5.000)49.7576
 Q(2.725)20.2743
detected in ISM/CSMyes


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