Phenol, 2-(1,1-dimethylethyl)-

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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 as indicated in comments:
B - John E. Bartmess
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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Individual Reactions

C10H13O- + Hydrogen cation = Phenol, 2-(1,1-dimethylethyl)-

By formula: C10H13O- + H+ = C10H14O

Quantity Value Units Method Reference Comment
Δr1446. ± 9.2kJ/molG+TSFujio, McIver, et al., 1981gas phase; value altered from reference due to change in acidity scale; B
Quantity Value Units Method Reference Comment
Δr1415. ± 8.4kJ/molIMREFujio, McIver, et al., 1981gas phase; value altered from reference due to change in acidity scale; B

Phenol, 2,4,6-tri-tert-butyl- + Phenol, 2-(1,1-dimethylethyl)- = Phenol, 2,6-bis(1,1-dimethylethyl)- + 2,4-Di-tert-butylphenol

By formula: C18H30O + C10H14O = C14H22O + C14H22O

Quantity Value Units Method Reference Comment
Δr0.1 ± 0.46kJ/molEqkPil'shchikov, Nesterova, et al., 1981liquid phase; ALS

Phenol + 2,4-Di-tert-butylphenol = Phenol, 2-(1,1-dimethylethyl)- + Phenol, p-tert-butyl-

By formula: C6H6O + C14H22O = C10H14O + C10H14O

Quantity Value Units Method Reference Comment
Δr-0. ± 4.kJ/molEqkPil'shchikov, Nesterova, et al., 1981liquid phase; ALS

Phenol + Phenol, 2,6-bis(1,1-dimethylethyl)- = 2Phenol, 2-(1,1-dimethylethyl)-

By formula: C6H6O + C14H22O = 2C10H14O

Quantity Value Units Method Reference Comment
Δr-12.8 ± 0.54kJ/molEqkPil'shchikov, Nesterova, et al., 1981liquid phase; ALS

Phenol + Phenol, 2,5-bis(1,1-dimethylethyl)- = Phenol, m-tert-butyl- + Phenol, 2-(1,1-dimethylethyl)-

By formula: C6H6O + C14H22O = C10H14O + C10H14O

Quantity Value Units Method Reference Comment
Δr0.0kJ/molEqkPil'shchikov, Nesterova, et al., 1981liquid phase; ALS

Phenol, p-tert-butyl- = Phenol, 2-(1,1-dimethylethyl)-

By formula: C10H14O = C10H14O

Quantity Value Units Method Reference Comment
Δr18.6 ± 0.79kJ/molEqkPil'shchikov, Nesterova, et al., 1981liquid phase; ALS

Phenol, 2-(1,1-dimethylethyl)- = Phenol, p-tert-butyl-

By formula: C10H14O = C10H14O

Quantity Value Units Method Reference Comment
Δr-16.9 ± 1.6kJ/molEqkNesterova, Verevkin, et al., 1985liquid phase; ALS

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.

Fujio, McIver, et al., 1981
Fujio, M.; McIver, R.T., Jr.; Taft, R.W., Effects on the acidities of phenols from specific substituent-solvent interactions. Inherent substituent parameters from gas phase acidities, J. Am. Chem. Soc., 1981, 103, 4017. [all data]

Pil'shchikov, Nesterova, et al., 1981
Pil'shchikov, V.A.; Nesterova, T.N.; Rozhnov, A.M., Equilibrium in the system phenol-tert-butylphenols, J. Appl. Chem. USSR, 1981, 54, 1765-1769. [all data]

Nesterova, Verevkin, et al., 1985
Nesterova, T.N.; Verevkin, S.P.; Malova, T.N.; Pilshchikov, V.A., Study of an equilibrium of tert-alkylphenols (thermodynamic analysis of the alkylation of phenols by branched olefins), Zh. Prikl. Khim. (Leningrad), 1985, 58, 827-833. [all data]


Notes

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