Benzene, 1-tert-butyl-2-chloro-
- Formula: C10H13Cl
- Molecular weight: 168.663
- IUPAC Standard InChI: InChI=1S/C10H13Cl/c1-10(2,3)8-6-4-5-7-9(8)11/h4-7H,1-3H3
- IUPAC Standard InChIKey: HMRNLPCZVBVKLZ-UHFFFAOYSA-N
- CAS Registry Number: 7073-98-5
- Chemical structure:
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Condensed phase 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
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°liquid | -20.8 ± 0.4 | kcal/mol | Eqk | Kovel, Nesterova, et al., 1982 |
Gas phase ion energetics data
Go To: Top, Condensed phase 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 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 |
|---|---|---|---|
| 8.49 | PE | Baidin, Misharev, et al., 1985 | |
| 8.84 | PE | Baidin, Misharev, et al., 1985 | Vertical 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.
Kovel, Nesterova, et al., 1982
Kovel, E.N.; Nesterova, T.N.; Rozhnov, A.M.,
Heats of formation of tert-butylchlorobenzenes, Deposited Document, SPSTL 385 Khp-D80. Chem. Abst. 97:23198n, 1982, 1-5. [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
Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
ΔfH°liquid Enthalpy of formation of liquid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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