Ethenol, 2-phenyl-1,2-bis(2,4,6-trimethylphenyl)-
- Formula: C26H28O
- Molecular weight: 356.4999
- CAS Registry Number: 77787-80-5
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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:
B - John E. Bartmess
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
6.90 ± 0.05 | PE | Lecoultre, Heilbronner, et al., 1986 | LBLHLM |
7.5 ± 0.1 | EI | Biali, Lifshitz, et al., 1981 | LLK |
7.25 ± 0.05 | PE | Lecoultre, Heilbronner, et al., 1986 | Vertical value; LBLHLM |
De-protonation reactions
C26H27O- + = C26H28O
By formula: C26H27O- + H+ = C26H28O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1408. ± 10. | kJ/mol | G+TS | Mishima, Mustanir, et al., 2000 | gas phase; Keto acidity; enol acidity=328.7: 323 K; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1378. ± 8.4 | kJ/mol | IMRE | Mishima, Mustanir, et al., 2000 | gas phase; Keto acidity; enol acidity=328.7: 323 K; B |
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.
Lecoultre, Heilbronner, et al., 1986
Lecoultre, J.; Heilbronner, E.; Biali, S.E.; Rappoport, Z.,
223. Ionization energies of 1-R-2,2-dimesitylethenols, 1,2-dimesityl-2-phenylethenol, and some of their keto tautomers,
Helv. Chim. Acta, 1986, 69, 2108. [all data]
Biali, Lifshitz, et al., 1981
Biali, S.E.; Lifshitz, C.; Rappoport, Z.,
Thermochemistry and unimolecular reactions of ionized 1,2-dimesityl-2-phenylethanone and 2,2-dimesityl-1-phenylethanone and their enols and enol acetates in the gas phase,
J. Am. Chem. Soc., 1981, 103, 2896. [all data]
Mishima, Mustanir, et al., 2000
Mishima, M.; Mustanir; Eventova, I.; Rappoport, Z.,
Acidities and pK(Enol) values of stable simple enols in the gas phase,
J. Chem. Soc. Perkin Trans., 2000, 2, 7, 1505-1512, https://doi.org/10.1039/b001155j
. [all data]
Notes
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- Symbols used in this document:
ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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