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Ethenol, 2-phenyl-1,2-bis(2,4,6-trimethylphenyl)-


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 ± 0.05PELecoultre, Heilbronner, et al., 1986LBLHLM
7.5 ± 0.1EIBiali, Lifshitz, et al., 1981LLK
7.25 ± 0.05PELecoultre, Heilbronner, et al., 1986Vertical value; LBLHLM

De-protonation reactions

C26H27O- + Hydrogen cation = C26H28O

By formula: C26H27O- + H+ = C26H28O

Quantity Value Units Method Reference Comment
Deltar1408. ± 10.kJ/molG+TSMishima, Mustanir, et al., 2000gas phase; Keto acidity; enol acidity=328.7: 323 K; B
Quantity Value Units Method Reference Comment
Deltar1378. ± 8.4kJ/molIMREMishima, Mustanir, et al., 2000gas 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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