2(1H)-Pyridinone
- Formula: C5H5NO
- Molecular weight: 95.0993
- CAS Registry Number: 109-10-4
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Reaction 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
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Individual Reactions
C5H5NO =
By formula: C5H5NO = C5H5NO
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 0.3 ± 2.5 | kcal/mol | Kin | Beak, Fry, et al., 1976 | gas phase |
Gas phase ion energetics data
Go To: Top, Reaction thermochemistry data, 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:
LL - Sharon G. Lias and Joel F. Liebman
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| IE (evaluated) | 8.938 ± 0.001 | eV | N/A | N/A | L |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.9384 ± 0.0006 | TE | Ozeki, Cockett, et al., 1995 | LL |
| 9.28 ± 0.02 | EI | Gronneberg and Undheim, 1972 | LLK |
| 9.11 ± 0.03 | PE | Cook, El-Abbady, et al., 1977 | Vertical value; LLK |
References
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Beak, Fry, et al., 1976
Beak, P.; Fry, F.S., Jr.; Lee, J.; Steele, F.,
Equilibration studies. Protomeric equilibria of 2- and 4-Hydroxypyridines, 2- and 4-hydroxypyridines, 2- and 4-mercaptopyridines, and structurally related compounds in the gas phase,
J. Am. Chem. Soc., 1976, 98, 171-179. [all data]
Ozeki, Cockett, et al., 1995
Ozeki, H.; Cockett, M.C.R.; Okuyama, K.; Takahashi, M.; Kumura, K.,
Structural isomers and tautomerism of 2-hydroxypyridine in the cation ground state studied by zero kinetic energy (ZEKE) photoelectron spectroscopy,
J. Phys. Chem., 1995, 99, 8608. [all data]
Gronneberg and Undheim, 1972
Gronneberg, T.; Undheim, K.,
Mass spectrometry of onium compounds. XI: ionization potentials of hydroxy and mercapto pyridines,
Org. Mass Spectrom., 1972, 6, 823. [all data]
Cook, El-Abbady, et al., 1977
Cook, M.J.; El-Abbady, S.; Katritzky, A.R.; Guimon, C.; Pfister-Guillouzo, G.,
Photoelectron spectra of hydroxy- and mercapto-pyridines and models of fixed structure,
J. Chem. Soc. Perkin Trans. 2, 1977, 1652. [all data]
Notes
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
IE (evaluated) Recommended ionization energy ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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