CH3C13CH
Propyne, methylacetylene, 13C on C1
Species tag 041515
Version1*
Date of EntryApr. 2020
ContributorH. S. P. Müller

The data have been summarized by
(1) H. S. P. Müller, S. Thorwirth, and F. Lewen, 2020, J. Mol. Struct. 1207, Art. No. 127769.
The submillimeter data and part of the millimeter data were taken from that work. Additional millimeter data were taken from
(2) A. Dubrulle, D. Boucher, J. Burie, and J. Demaison, 1978, J. Mol. Spectrosc. 72, 158. Two micowave transition frequencies were taken from
(3) R. Trambarulo, and W. Gordy, 1950, J. Chem. Phys. 18, 1613. The purely K-dependent parameters A, DK, and an estimate of HK, were taken from the main isotopic species as described in (1) based on ground state combination loops from
(4) H. S. P. Müller, P. Pracna, and V.-M. Horneman, 2002, J. Mol. Spectrosc. 216, 397.
The calculations should be sufficient for all observational purposes. Some caution may be advised for transitions having high values of J and K.
At low temperatures, it may be necessary to discern between A-CH3C13CH and E-CH3C13CH. 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-CH3C13CH with K > 0 and all other states, respectively. The JK = 11 level is the lowest E state level. It is 5.5848 cm–1 above ground.
The dipole moment was assumed to agree with that of the main species from
(4) J. S. Muenter, and V. W. Laurie, 1966, J. Chem. Phys., 45, 855.

Lines Listed1828
Frequency / GHz< 1500
Max. J91
log STR0-7.0
log STR1-8.3
Isotope Corr.-1.965
Egy / (cm–1)0.0
 µa / D0.7807
 µb / D 
 µc / D 
 A159140.
 B8290.247
 C = B
 Q(300.0)11189.1121
 Q(225.0)7265.9721
 Q(150.0)3954.8138
 Q(75.00)1398.9669
 Q(37.50)496.5165
 Q(18.75)181.6955
 Q(9.375)70.8563
 Q(5.000)31.4659
 Q(2.725)15.2541
detected in ISM/CSMyes


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