13CH313CN
Methyl cyanide, doubly substituted 13C species
Species tag 043513
Version1*
Date of EntryDec. 2009
ContributorH. S. P. Müller

This entry is a combined CDMS and JPL entry.
The latest combined fit has been reported by
(1) H. S. P. Müller; B. J. Drouin, and J. C. Pearson, 2009, Astron. Astrophys. 506, 1487.
This work provides new data between 249 and 1139 GHz. The purely K-dependent terms A and DK were assumed to agree with those of the main isotopolog, see e041505.cat.
Predictions with uncertainties larger than 0.5 MHz should be viewed with caution.
14N hyperfine splitting may be resolvable at low values of J and possibly at the highest K. Therefore, predictions with hyperfine splitting have been provided up to J" = 5 (108 GHz). Note: The partition function does not include the spin-multiplicities of 14N ! Therefore, partition function values have to be multiplied by 3 when considering 14N hyperfine splitting ! Vibrational contributions have not been considered in the calculation of the partition function yet. Rough estimates may be obtained by scaling the respective ground state value with the ratio from the main isotopolog.
At low temperatures, it may be necessary to discern between A-13CH313CN and E-13CH313CN. The A state levels are described by K = 3n, those of E state by K = 3n ± 1. The nuclear spin-weight ratio is 2 : 1 for A-13CH313CN with K > 0 and all other states, respectively. The JK = 11 level is the lowest E state level. It is 5.5713 cm–1 above ground.
The dipole moment was assumed to agree with that of the main isotopolog, see e041505.cat.

Lines Listed1351
Frequency / GHz<1684
Max. J95
log STR0-5.5
log STR1-6.5
Isotope Corr.-3.943
Egy / cm–10.0
 µa / D3.9220
 µb / D 
 µc / D 
 A / MHz158099.0
 B / MHz8927.28
 C / MHzB
 Q(500.0)22451.4525
 Q(300.0)10425.9080
 Q(225.0)6770.3174
 Q(150.0)3685.0494
 Q(75.00)1303.6039
 Q(37.50)462.6913
 Q(18.75)169.2778
 Q(9.375)66.0155
detected in ISM/CSMyes


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