CH3C3N
Methylpropionitrile, methylcyanoacetylene
Species tag 065503
Version1
Date of EntryApr. 2004
ContributorH. S. P. Müller

The observed lines are from
(1) A. Moïses, D. Boucher, J. Burie, J. Demaison, and A. Dubrulle, 1982, J. Mol. Spectrosc. 92, 497;
from
(2) M. Bester, M. Tanimoto, B. Vowinkel, G. Winnewisser, and K. M. T. Yamada, 1983, Z. Naturforsch. 38a, 64;
and from
(3) M. Bester, PhD thesis, 1984, Universität zu Köln.
At low J, the K-splitting was not resolved. Because of the large residuals, these lines were not used in the fit. Furthermore, quadrupole splitting due to the 14N nucleus may be resolvable for low J. With respect to the June 2000 entry, a separate hyperfine calculation is provided with J' up to 15 and Ka up to 6 along with partition function values. The version number has been retained.
The purely K-dependent parameters (A and DK), needed to obtain reasonable intensities, were taken from CH3CN;
(4) R. Antilla, V.-M. Hornemann, M. Koivusaari, and R. Paso, 1993, J. Mol. Spectrosc., 157, 198.
The dipole moment is from
(5) M. Bester, K. M. T. Yamada, G. Winnewisser, W. Joentgen, H.-J. Altenbach, and E. Vogel, 1984, Astron. Astrophys. 137, L20.
At low temperatures, it may be necessary to discern between A-CH3C3N and E-CH3C3N. The A states are described by K = 3n, the E states by K = 3n ± 1. The nuclear spin-weight ratio is 2 : 1 for A-CH3C3N with K>0 and all other states, respectively. The JK = 11 state is the lowest E state. It is 5.3424 cm–1 above ground.

Lines Listed1813
Frequency / GHz< 409
Max. J99
log STR0-7.0
log STR1-7.5
Isotope Corr.-0.0
Egy / (cm–1)0.0
 µa / D4.75
 µb / D 
 µc / D 
 A158099.
 B2065.74
 C = B
 Q(300.0)45017.1092
 Q(225.0)29233.2219
 Q(150.0)15909.7327
 Q(75.00)5624.8234
 Q(37.50)1993.6887
 Q(18.75)727.3156
 Q(9.375)282.0002
 Q(5.000)124.0342
 Q(2.725)59.0815
detected in ISM/CSMyes


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