C2H5CN, v = 0
Ethyl cyanide, propionitrile, v = 0
Species tag 055502
Version2*
Date of EntryAug. 2009
ContributorH. S. P. Müller

The observed transitions were taken from
(1) H. Mäder, H. M. Heise, and H. Dreizler, 1974, Z. Naturforsch. 29a, 164;
(2) D. R. Johnson, F. J. Lovas, C. A. Gottlieb, E. W. Gottlieb, M. M. Litvak, M. Guelin, and P. Thaddeus, 1977, Astrophys. J. 218, 370;
(3) J. Bourie, J. Demaison, A. Dubrulle, and D. Boucher, 1978, J. Mol. Spectrosc. 72,275;
(4) D. Boucher, A. Dubrulle, J. Demaison, and H. Dreizler, 1980, Z. Naturforsch. 35a, 1136;
(5) J. C. Pearson, K. V. L. N. Sastry, E. Herbst, and F. C. De Lucia, 1994, Astrophys. J. Suppl. Ser. 93, 589;
(6) Y. Fukuyama, H. Odashima, K. Takagi, S. Tsunekawa, 1996, Astrophys. J. Suppl. Ser. 104, 329;
and from
(7) H. S. P. Müller, unpublished.
With respect to the Apr. 2007 entry, additional submillimeter data were used in the fit. These have been reported by
(8) C. S. Brauer, J. C. Pearson, B. J. Drouin, and S. Yu, 2009, Astrophys. J. Suppl. Ser. 184, 133.
Data with experimental uncertainties larger than 50 kHz and 100  below and above 500 GHz, respectively, as well as the data from (7) have not been merged.
Predictions with uncertainties exceeding 0.5 MHz should be viewed with caution. However, such large uncertainties only occur at energies which are unlikely to be accessed by astronomical observations.
The data from (4) show resolved internal rotation of the methyl group. These effects are expected to be insignificant for astronomical observations. The A and E frequencies have been averaged.
Data from (1) and (4) as well as part of the data from (7) show resolved 14N hyperfine splitting which is negligible in most instances. However, it may be resolved for low values of J. Therefore, a separate hyperfine calculation is provided for J' ≤ 10 and frequencies below 92 GHz.
NOTE: The partition function does not take into account the spin multiplicity gI = 3 of the 14N nucleus ! Furthermore, energy levels up to J = 150 and Ka = 70 have been considered in the calculation of the partition function. This is sufficient up to 300 K. At higher temperatures classical extrapolations are recommended. The partition function values below refer to the ground vibrational state only. Vibrational correction factors have been derived for the main isotopolog in the harmonic approximation.
The dipole moment was taken from
(9) H. M. Heise, H. Lutz, and H. Dreizler, 1974, Z. Naturforsch. 29a, 1345
.

Lines Listed39010
Frequency / GHz< 2555
Max. J143
log STR0-8.0
log STR1-7.5
Isotope Corr.-0.0
Egy / cm-10.0
 µa / D3.85
 µb / D1.23
 µc / D 
 A / MHz27663.68
 B / MHz4714.188
 C / MHz4235.085
 Q(500.0)80525.
 Q(300.0)37424.5763
 Q(225.0)24286.9324
 Q(200.0)20348.0721
 Q(180.0)17369.7498
 Q(160.0)14553.7567
 Q(150.0)13209.5867
 Q(140.0)11909.7662
 Q(120.0)9449.4720
 Q(100.0)7187.4346
 Q(75.00)4667.9361
 Q(37.50)1651.0572
 Q(18.75)584.6478
 Q(9.375)207.4255
detected in ISM/CSMyes


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