HCCCH2CN
Propargyl cyanide, 3-Butynenitrile
Species tag 065514
Version2*
Date of EntrySep. 2020
ContributorH. S. P. Müller

The experimental data were taken from
(1) J. Demaison, I. Pohl, H. D. Rudolph, 1985, J. Mol. Spectrosc. 114, 210.
With respect to the first entry from Nov. 2018, hyperfine transition frequencies were added. These were reported by
(2) B. A. McGuire, A. M. Burkhardt, R. A. Loomis, C. N. Shingledecker, K. L. K. Lee, S. B. Charnley, M. A. Cordiner, E. Herbst, S. Kalenskii, E. Momjian, E. R. Willis, C. Xue, A. J. Remijan, and M. C. McCarthy, 2020, Astrophys. J. Lett. 900, Art. No. L10.
Some lines from (2) and (1) with large residuals were omitted from the fit. The parameter set differs somewhat from that in (1). The calculations are probably sufficient for all astronomers. Transition frequencies with calculated uncertainties larger than 0.2 MHz should be viewed with caution.
A separate hyperfine calculation is provided for J ≤ 11 and frequencies below 52 GHz.
NOTE: The partition function takes into account the spin multiplicity of the 14N nucleus.
The dipole moment was determined in (1).

Lines Listed32493
Frequency / GHz< 720
Max. J153
log STR0-9.5
log STR1-7.0
Isotope Corr. 
Egy / (cm–1)0.0
 µa / D3.23
 µb / D2.34
 µc / D 
 A / MHz19820.19
 B / MHz2909.594
 C / MHz2573.225
 Q(300.0)217480.3995
 Q(225.0)140996.7859
 Q(150.0)76605.9327
 Q(75.00)27037.0993
 Q(37.50)9554.4398
 Q(18.75)3379.9531
 Q(9.375)1197.3107
 Q(5.000)468.0865
 Q(2.725)189.6262
detected in ISM/CSMyes


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