C2H3C3N
Cyanoethynylethene, 1-cyanobut-3-ene-1-yne, 4-penten-2-ynenitrile, vinylcyanoacetylene
Species tag 077506
Version1*
Date of EntrySep. 2011
ContributorH. S. P. Müller

The experimental data have been taken from
(1) S. Thorwirth, M. C. McCarthy, J. B. Dudek, and P. Thaddeus, 2004, J. Mol. Spectrosc., 225, 93;
and from
(2) J. August, H. W. Kroto, D. McNaughton, K. Phillips, and D. R. M. Walton, 1988, J. Mol. Spectrosc., 130, 424.
No uncertainties were given for the lines in (2); based on the partial rms error, they were estimated to be 20 kHz.
b-type transitions cannot be predicted reliably at present. Moreover, they are very weak. Predictions may be sufficiently reliable if the uncertainties do not exceed 100 kHz.
14N hyperfine structure may be resolved for transitions with small quantum numbers. Therefore, a separate hyperfine calculation is provided up to J' = 10. NOTE: The partition function does take into account hyperfine splitting !
The a-dipole moment component is from an ab initio calculation in (1).

Lines Listed4547
Frequency / GHz< 250
Max. J93
log STR0-8.0
log STR1-5.0
Isotope Corr. 
Egy / (cm–1)0.0
 µa / D5.09
 µb / D 
 µc / D 
 A39931.
 B1376.633
 C1329.747
 Q(300.0)307079.7116
 Q(225.0)199509.4768
 Q(150.0)108632.2712
 Q(75.00)38422.7701
 Q(37.50)13590.1446
 Q(18.75)4807.8881
 Q(9.375)1701.8338
 Q(5.000)664.1809
 Q(2.725)268.1850
detected in ISM/CSMyes


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