2-Propynal


Gas phase thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Glushko Thermocenter, Russian Academy of Sciences, Moscow

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
40.00100.Ramaswamy K., 1962These values were calculated neglecting the internal rotation in molecule. The values of S(298.15 K)=262.5 and Cp(298.15 K)=67.7 J/mol*K were estimated by group additivity method [ Dorofeeva O.V., 1997].
52.05200.
60.79273.15
63.60298.15
63.81300.
73.72400.
81.80500.
88.45600.
93.97700.
98.70800.
102.72900.
106.191000.

Gas phase ion energetics data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

IE (eV) Method Reference Comment
10.62 ± 0.15EIOpitz, 1991LL
10.8PEVon Niessen, Bieri, et al., 1980LLK
10.70PECarlier and Mouvier, 1979Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CO+12.6 ± 0.2C2HEIOpitz, 1991LL
C2+19.7 ± 0.2?EIOpitz, 1991LL
C2H2+11.49 ± 0.15?EIOpitz, 1991LL
C3HO+11.38 ± 0.15HEIOpitz, 1991LL

References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Ramaswamy K., 1962
Ramaswamy K., Thermodynamic properties for HCCCHO, DCCCHO, and HCCCDO, Spectroscopia Mol., 1962, 11, 14-15. [all data]

Dorofeeva O.V., 1997
Dorofeeva O.V., Unpublished results. Thermocenter of Russian Academy of Science, Moscow, 1997. [all data]

Opitz, 1991
Opitz, J., Photoionization of propynal in the gas phase, Int. J. Mass Spectrom. Ion Processes, 1991, 107, 503. [all data]

Von Niessen, Bieri, et al., 1980
Von Niessen, W.; Bieri, G.; Asbrink, L., 30.4 nm He(II) photoelectron spectra of organic molecules. Part III. Oxo-compounds (C,H,O), J. Electron Spectrosc. Relat. Phenom., 1980, 21, 175. [all data]

Carlier and Mouvier, 1979
Carlier, P.; Mouvier, G., Etude par spectrometrie de photoelectrons de la structure electronique des ynals et des ynones conjugues, J. Electron Spectrosc. Relat. Phenom., 1979, 17, 169. [all data]


Notes

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