Benzene, 1-tert-butyl-2-chloro-


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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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Individual Reactions

Benzene, chloro- + 2,4-Di-t-butyl chlorobenzene = 1-Chloro-4-(1,1-dimethylethyl)benzene + Benzene, 1-tert-butyl-2-chloro-

By formula: C6H5Cl + C14H21Cl = C10H13Cl + C10H13Cl

Quantity Value Units Method Reference Comment
Δr-0.25 ± 0.71kJ/molEqkKovzel, Nesterova, et al., 1981liquid phase

Benzene, 1-tert-butyl-2-chloro- = 1-Chloro-4-(1,1-dimethylethyl)benzene

By formula: C10H13Cl = C10H13Cl

Quantity Value Units Method Reference Comment
Δr-21.4 ± 1.7kJ/molEqkKovzel, Nesterova, et al., 1981liquid phase

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 by: 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
8.49PEBaidin, Misharev, et al., 1985 
8.84PEBaidin, Misharev, et al., 1985Vertical value

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.

Kovzel, Nesterova, et al., 1981
Kovzel, E.N.; Nesterova, T.N.; Rozhnov, A.M.; Kartavtseva, T.A., Study of equilibrium in in the chlorobenzene-butylchlorobenzenes systems, Termodin. Organ. Soedin., 1981, 65-68. [all data]

Baidin, Misharev, et al., 1985
Baidin, V.N.; Misharev, A.D.; Takhistov, V.V., Effect of alkyl substituents on the ionization potentials of halogenobenzenes, Zh. Org. Khim., 1985, 21, 817. [all data]


Notes

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