68801

Version	2026.04
Tag	68801
Molecule - Descriptor	2,3-Butadienal (H₂CCCHCHO) - trans-conformer, vt=0
Isotope	parent
Hyperfine	N/A
Lines in DB	8077
Frequency max. (MHz)	598338.6056
J max.	120
Cite these data as	Margulès L., Fried Z.T.P., Motiyenko R.A., McGuire B.A., Sanz-Novo M., Rivilla V.M., Jiménez-Serra I., Guillemin J.-C. 2026, J. Phys. Chem. A., 130, 2893-2902 https://doi.org/10.1021/acs.jpca.6c00431

Frequency units

Intensity units

Temperature (K)

Frequency limits

T(K)	Q_t	Q_rot	Q_vib
300.0	390395.709	63299.8847	6.1674
225.0	136623.584	41198.8373	3.3162
150.0	41307.501	22407.1066	1.8435
75.0	9000.441	7911.7804	1.1376
37.5	2820.208	2796.4385	1.0085
18.75	989.275	989.2752	1.0
9.375	350.378	350.378	1.0

Standard CAT file format for quantum numbers

Detailed specifications are provided in the documentation of the SPFIT/SPCAT programs. See, for example, the CDMS website.

Dipole moments

Margulès L., Fried Z.T.P., Motiyenko R.A., McGuire B.A., Sanz-Novo M., Rivilla V.M., Jiménez-Serra I., Guillemin J.-C. 2026, J. Phys. Chem. A., 130, 2893-2902 https://doi.org/10.1021/acs.jpca.6c00431

2026.04 Latest

Initial version