CH313C13CH
Propyne, methylacetylene, 13C on C1 and C2
Species tag 042522
Version1*
Date of EntryApr. 2020
ContributorH. S. P. Müller

No experimental data are available for this iosotopolog thus far. The spectroscopic were estimated as described in
(1) H. S. P. Müller, S. Thorwirth, and F. Lewen, 2020, J. Mol. Struct. 1207, Art. No. 127769.
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
(2) H. S. P. Müller, P. Pracna, and V.-M. Horneman, 2002, J. Mol. Spectrosc. 216, 397.
An uncertainty of 30 kHz for B was propagated. This value should be roughly appropriate. Nevertheless, caution is advised for the entire entry.
At low temperatures, it may be necessary to discern between A-CH313C13CH and E-CH313C13CH. 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-CH313C13CH with K > 0 and all other states, respectively. The JK = 11 level is the lowest E state level. It is 5.5847 cm–1 above ground.
The dipole moment was assumed to agree with that of the main species from
(3) J. S. Muenter, and V. W. Laurie, 1966, J. Chem. Phys., 45, 855.

Lines Listed462
Frequency / GHz< 500
Max. J30
log STR0-7.0
log STR1-6.3
Isotope Corr.-3.916
Egy / (cm–1)0.0
 µa / D0.7807
 µb / D 
 µc / D 
 A159140.
 B8288.234
 C = B
 Q(300.0)11191.8178
 Q(225.0)7267.7306
 Q(150.0)3955.7714
 Q(75.00)1399.3056
 Q(37.50)496.6365
 Q(18.75)181.7392
 Q(9.375)70.8733
 Q(5.000)31.4734
 Q(2.725)15.2576
detected in ISM/CSMnot yet


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