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Phenol, 2-(1-methylethyl)-

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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

C9H11O- + Hydrogen cation = Phenol, 2-(1-methylethyl)-

By formula: C9H11O- + H+ = C9H12O

Quantity Value Units Method Reference Comment
Deltar1454. ± 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
Deltar1423. ± 8.4kJ/molIMREFujio, McIver, et al., 1981gas phase; value altered from reference due to change in acidity scale; B

Phenol + Phenol, 2,4-bis(1-methylethyl)- = Phenol, 2-(1-methylethyl)- + p-Cumenol

By formula: C6H6O + C12H18O = C9H12O + C9H12O

Quantity Value Units Method Reference Comment
Deltar-0.7 ± 1.0kJ/molEqkNesterova, Pimerzin, et al., 1989liquid phase; Isomerization; ALS
Deltar-0.7 ± 1.0kJ/molEqkNesterova, Pilyshchikov, et al., 1983liquid phase; GC; ALS

Phenol, 2,4,6-tris(1-methylethyl)- + Phenol, 2-(1-methylethyl)- = Propofol + Phenol, 2,4-bis(1-methylethyl)-

By formula: C15H24O + C9H12O = C12H18O + C12H18O

Quantity Value Units Method Reference Comment
Deltar0.0 ± 0.84kJ/molEqkNesterova, Pilyshchikov, et al., 1983liquid phase; CG; ALS

Phenol, 2-(1-methylethyl)- = p-Cumenol

By formula: C9H12O = C9H12O

Quantity Value Units Method Reference Comment
Deltar-7.95 ± 0.21kJ/molEqkNesterova, Pilyshchikov, et al., 1983liquid phase; GC; 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]

Nesterova, Pimerzin, et al., 1989
Nesterova, T.N.; Pimerzin, A.A.; Rozhnov, A.M.; Karlina, T.N., Equilibria for the isomerization of (secondary-alkyl)phenols and cyclohexylphenols, J. Chem. Thermodyn., 1989, 21, 385-395. [all data]

Nesterova, Pilyshchikov, et al., 1983
Nesterova, T.N.; Pilyshchikov, V.A.; Rozhnov, A.M., Chemical Equilibrium in the system isopropylphenols-phenol, J. Appl. Chem. USSR, 1983, 56, 1257-1261. [all data]


Notes

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