CH2CHCHCO
1,3-Butadienone, vinylketene
Species tag 068513
Version1*
Date of EntryMar. 2025
ContributorH. S. P. Müller

The molecule exists in two conformers, the second one being about 1.7 kcal/mol (~840 K) higher in energy. This entry considers only the low energy trans conformer. The transition frequencies were summarized by
(1) L. Kolesniková, T. Uhlíková, Jan Koucký, K. Luková, D. Habiger, P. Kania, J.-C. Guillemin, and Š. Urban, 2023, Astrophys. J., 944, Art. No. 10.
The line list contains microwave data from
(2) E. Bjarnov, 1979, Z. Naturforsch. A, 34, 1269.
The calculation should be sufficiently accurate for observational purposes; caution is advised for transition frequencies with calculated uncertainties exceeding 0.2 MHz.
The a-dipole moment component was taken from
(3) R. D. Brown, P. D. Godfrey, and M. Woodruff, 1979, Aust. J. Chem., 32, 2103;
the b-component is an average of values from (2) and (3).

Lines Listed10795
Frequency / GHz< 720
Max. J138
log STR0-12.0
log STR1-6.0
Isotope Corr. 
Egy / (cm–1)0.0
 µa / D0.872
 µb / D0.45
 µc / D 
 A39532.83
 B2392.930
 C2256.002
 Q(300.0)60251.3232
 Q(225.0)39089.7276
 Q(150.0)21254.5137
 Q(75.00)7507.6614
 Q(37.50)2654.0978
 Q(18.75)938.9981
 Q(9.375)332.5789
 Q(5.000)129.9668
 Q(2.725)52.6075
detected in ISM/CSMno


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