- Formula: C5H8
- Molecular weight: 68.1170
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: IBXNCJKFFQIKKY-UHFFFAOYSA-N
- CAS Registry Number: 627-19-0
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: Acetylene, propyl-; Propylacetylene; C3H7C«equiv»CH; pent-1-yne
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Gas phase ion energetics data
Go To: Top, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data evaluated as indicated in comments:
L - Sharon G. Lias
Data compiled as indicated in comments:
B - John E. Bartmess
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
View reactions leading to C5H8+ (ion structure unspecified)
|IE (evaluated)||10.10 ± 0.01||eV||N/A||N/A||L|
Ionization energy determinations
|10.05||EI||Holmes, Fingas, et al., 1981||LLK|
|10.10 ± 0.02||PE||Bieri, Burger, et al., 1977||LLK|
|10.098 ± 0.005||PE||Carlier, Dubois, et al., 1975||LLK|
C5H7- + =
By formula: C5H7- + H+ = C5H8
|rH°||1589. ± 10.||kJ/mol||G+TS||Bartmess, Scott, et al., 1979||gas phase; value altered from reference due to change in acidity scale; B|
|rG°||1556. ± 8.4||kJ/mol||IMRE||Bartmess, Scott, et al., 1979||gas phase; value altered from reference due to change in acidity scale; B|
Go To: Top, Gas phase ion energetics data, Notes
Holmes, Fingas, et al., 1981
Holmes, J.L.; Fingas, M.; Lossing, F.P., Towards a general scheme for estimating the heats of formation of organic ions in the gas phase. Part I. Odd-electron cations, Can. J. Chem., 1981, 59, 80. [all data]
Bieri, Burger, et al., 1977
Bieri, G.; Burger, F.; Heilbronner, E.; Maier, J.P., Valence ionization enrgies of hydrocarbons, Helv. Chim. Acta, 1977, 60, 2213. [all data]
Carlier, Dubois, et al., 1975
Carlier, P.; Dubois, J.E.; Masclet, P.; Mouvier, G., Spectres de photoelectrons des alcynes, J. Electron Spectrosc. Relat. Phenom., 1975, 7, 55. [all data]
Bartmess, Scott, et al., 1979
Bartmess, J.E.; Scott, J.A.; McIver, R.T., Jr., The gas phase acidity scale from methanol to phenol, J. Am. Chem. Soc., 1979, 101, 6047. [all data]
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
IE (evaluated) Recommended ionization energy rG° Free energy of reaction at standard conditions rH° Enthalpy of reaction at standard conditions
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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