13CH313CH213CN
Ethyl cyanide, propionitrile, triply 13C isotopolog
Species tag 058516
Version1*
Date of EntryApr. 2017
ContributorsH. S. P. Müller
A. O. Pienkina

The observed transitions were taken from
(1) A. O. Pienkina, L. Margulès, R. A. Motiyenko, H. S. P. Müller, and J.-C. Guillemin, 2017, Astron. Astrophys. 601, Art. No. A2.
The predictions are deemed to be reliable throughout for astronomical observations. Predictions with uncertainties exceeding 0.5 MHz should be viewed with caution.
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. Errors caused by isotopic substitution are small.
The dipole moment was assumed to agree with that of the main isotopic species:
(2) A. Krasnicki, Z. Kisiel, 2011, J. Mol. Spectrosc. 270, 83.
Some small deviations are expected to occur, but these are essentially negligible.

Lines Listed24771
Frequency / GHz< 1500
Max. J132
log STR0-8.0
log STR1-6.5
Isotope Corr.-5.969
Egy / cm-10.0
 µa / D3.816
 µb / D1.235
 µc / D 
 A / MHz26689.770
 B / MHz4558.801
 C / MHz4086.861
 Q(300.0)39444.1549
 Q(225.0)25597.0203
 Q(150.0)13921.8102
 Q(75.00)4919.4491
 Q(37.50)1739.9470
 Q(18.75)616.0828
 Q(9.375)218.5504
detected in ISM/CSMno


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