CH3C6H
1,3,7-Heptatriyne, methyltriacetylene
Species tag 088502
Version1
Date of EntrySep. 2002
ContributorH. S. P. Müller

The observed lines are from
(1) A. J. Alexander, H. W. Kroto, M. Maier, and D. R. M. Walton, 1978, J. Mol. Spectrosc. 70, 84.
The purely K-dependent parameters (A and DK), needed to obtain reasonable intensities, were taken from CH3CCH;
(2) H. S. P. Müller, P. Pracna, and V.-M. Hornemann, 2002, J. Mol. Spectrosc., 216, in press.
The dipole moment is an estimate from
(3) M. Bester, K. M. T. Yamada, G. Winnewisser, W. Joentgen, H.-J. Altenbach, and E. Vogel, 1984, Astron. Astrophys. 137, L20.
Predictions above 100 GHz should be viewed with caution. At low temperatures, it may be necessary to discern between A-CH3C6H and E-CH3C6H. The A states are described by K = 3n, the E states by K = 3n ± 1. The nuclear spin-weight ratio is 2 : 1 for A-CH3C6H with K > 0 and all other states, respectively. The JK = 11 state is the lowest E state. It is 5.3342 cm–1 above ground.

Lines Listed1413
Frequency / GHz< 403
Max. J130
log STR0-9.5
log STR1-5.0
Isotope Corr.-0.0
Egy / (cm–1)0.0
 µa / D1.5
 µb / D 
 µc / D 
 A159140.
 B778.245
 C = B
 Q(300.0)119072.9605
 Q(225.0)77324.9012
 Q(150.0)42082.6251
 Q(75.00)14876.7106
 Q(37.50)5272.0513
 Q(18.75)1923.2140
 Q(9.375)745.2487
 Q(5.000)327.2694
 Q(2.725)155.4775
detected in ISM/CSMyes


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