C2H5CCH
1-Butyne, ethylacetylene
Species tag 054519
Version1*
Date of EntryMar. 2017
ContributorH. S. P. Müller

The rotational transition frequencies were summarized in
(1) A. L. Steber, B. J. Harris, J. L. Neill, and B. H. Pate, 2012, J. Mol. Spectrosc. 280, 3.
They included also data from
(2) J. Demaison, D. Boucher, J. Burie, and A. Dubrulle, 1983, Z. Naturforsch. 38a, 447;
and from
(3) B. M. Landsberg and R. D. Suenram, 1983, J. Mol. Spectrosc. 98, 210.
Presently, we did not consider data from
(4) G. Bestmann and H. Dreizler, 1985, Z. Naturforsch. 40a, 263.
The data in (4) report small internal rotation splitting around 100 kHz; center frequencies, uncertainties, and the compatibility with data in (3) would have to be evaluated. Three lines of (2) were omitted in (1); we used one of these and employed a slightly different parameter set. Data from (3) were not merged because of the relatively large uncertainties of 100 kHz.
The predictions should be sufficient for astronomical searches; they should be viewed with some caution if the calculated uncertainties exceed 0.3 MHz.
The methyl internal rotation, resolved in (4), was deemed to be negligible for astronomical observations.
The dipole moment was measured in (3).

Lines Listed9187
Frequency / GHz< 1000
Max. J107
log STR0-8.5
log STR1-6.3
Isotope Corr.-0.0
Egy / (cm–1)0.0
 µa / D0.763
 µb / D0.170
 µc / D 
 A / MHz27147.79
 B / MHz4546.519
 C / MHz4086.914
 Q(300.0)39167.7485
 Q(225.0)25416.8833
 Q(150.0)13823.3854
 Q(75.00)4884.5005
 Q(37.50)1727.5553
 Q(18.75)611.6896
 Q(9.375)216.9909
detected in ISM/CSMyes


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