i-C3H7CN
iso-Propyl cyanide, iso-butyronitrile
Species tag 069506
Version1*
Date of EntryFeb. 2011
ContributorH. S. P. Müller

The experimental data has been taken from
(1) H. S. P. Müller, A. Coutens, A. Walters, J.-U. Grabow, and S. Schlemmer, 2011, J. Mol. Spectrosc., 267, 100.
14N hyperfine splitting has been resolved for some transitions at MW frequencies, but are unlikely to be resolved in astronomical observations. Nevertheless, a separate hyperfine calculation is provided up to J" = 10 and up to 115 GHz. NOTE: The partition function does not take into account hyperfine splitting ! The partition function values have to be multiplied with 3 if hyperfine structure is taken into account !
Predictions are probably reliable throughout; those with uncertainties larger than 1 MHz should be viewed with caution.
The dipole moment components were determined in (1).

Lines Listed41106
Frequency / GHz< 1200
Max. J149
log STR0-8.7
log STR1-6.3
Isotope Corr.-0.0
Egy / (cm–1)0.0
 µa / D4.022
 µb / D0.619
 µc / D 
 A7940.877
 B3968.088
 C2901.053
 Q(300.0)91881.5700
 Q(225.0)59641.8885
 Q(150.0)32446.4466
 Q(75.00)11467.3474
 Q(37.50)4055.4405
 Q(18.75)1435.3340
 Q(9.375)508.6729
detected in ISM/CSMyes


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