C2H5NCO
Ethyl isocyanate
Species tag 071508
Version1*
Date of EntryAug. 2020
ContributorH. S. P. Müller

Transition frequencies with hyperfine splitting were taken from
(1) N. Heineking, J.-U. Grabow, and W. Stahl, 1994, Mol. Phys. 140, 62.
Extensive millimeter data were taken from
(2) L. Kolesniková, E. R. Alonso, B. Tercero, J. Cernicharo, and J. L. Alonso, 2018, Astron. Astrophys. 611, Art. No. A173.
The parameter set differs slightly from that in (2). The spectrum is not well described by a conventional Hamiltonian. While the reason was not determined, it may be related to a very low lying vibrational mode. The higher Ka the lower the maximum J value in the fit. The entry was truncated at 370 GHz, but we recomment to use rely only on measured data.
The dipole moment components were determined by
(3) T. Sakaizumi, O. Yamada, K. Ushida, O. Ohashi, I. Yamaguchi, 1976, Bull. Chem. Soc. Japan 49, 2908.

Lines Listed3539
Frequency / GHz< 370
Max. J71
log STR0-9.0
log STR1-4.5
Isotope Corr.-0.0
Egy / (cm–1)0.0
 µa / D2.81
 µb / D0.03
 µc / D 
 A / MHz14114.81
 B / MHz3067.183
 C / MHz2604.875
 Q(300.0)251538.2933
 Q(225.0)162501.5143
 Q(150.0)88088.2342
 Q(75.00)31044.8795
 Q(37.50)10965.0468
 Q(18.75)3878.1232
 Q(9.375)1373.6651
 Q(5.000)537.0270
 Q(2.725)217.5642
detected in ISM/CSMyes


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