Ethenol, 2,2-bis(2,4,6-trimethylphenyl)-
- Formula: C20H24O
- Molecular weight: 280.4040
- IUPAC Standard InChI: InChI=1S/C20H24O/c1-12-7-14(3)19(15(4)8-12)18(11-21)20-16(5)9-13(2)10-17(20)6/h7-11,21H,1-6H3
- IUPAC Standard InChIKey: ZEWSRGXZSLAREL-UHFFFAOYSA-N
- CAS Registry Number: 54288-04-9
- Chemical structure:
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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
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 7.2 | PE | Lecoultre, Heilbronner, et al., 1986 | LBLHLM |
| 7.60 ± 0.05 | PE | Lecoultre, Heilbronner, et al., 1986 | LBLHLM |
De-protonation reactions
C20H23O- + =
By formula: C20H23O- + H+ = C20H24O
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 1423. ± 10. | kJ/mol | G+TS | Mishima, Mustanir, et al., 2000 | gas phase; enol acidity: 323 K; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 1392. ± 8.4 | kJ/mol | IMRE | Mishima, Mustanir, et al., 2000 | gas phase; enol acidity: 323 K; B |
References
Go To: Top, 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.
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]
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
Go To: Top, Gas phase ion energetics data, References
- 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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