1-Propen-2-ol, 1,1-bis(2,4,6-trimethylphenyl)-
- Formula: C21H26O
- Molecular weight: 294.4305
- IUPAC Standard InChIKey: UIXTVSOEEDOJBG-UHFFFAOYSA-N
- CAS Registry Number: 89959-15-9
- Chemical structure:
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Reaction thermochemistry data
Go To: Top, Gas phase ion energetics data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: John E. Bartmess
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
C21H25O- + =
By formula: C21H25O- + H+ = C21H26O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1433. ± 10. | kJ/mol | G+TS | Mishima, Mustanir, et al., 2000 | gas phase; Keto acidity: 323 K |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1403. ± 8.4 | kJ/mol | IMRE | Mishima, Mustanir, et al., 2000 | gas phase; Keto acidity: 323 K |
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 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 |
---|---|---|---|
7.50 ± 0.05 | PE | Lecoultre, Heilbronner, et al., 1986 | LBLHLM |
De-protonation reactions
C21H25O- + =
By formula: C21H25O- + H+ = C21H26O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1433. ± 10. | kJ/mol | G+TS | Mishima, Mustanir, et al., 2000 | gas phase; Keto acidity: 323 K; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1403. ± 8.4 | kJ/mol | IMRE | Mishima, Mustanir, et al., 2000 | gas phase; Keto acidity: 323 K; B |
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.
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]
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]
Notes
Go To: Top, Reaction thermochemistry data, 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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