4-tert-Butyltoluene
- Formula: C11H16
- Molecular weight: 148.2447
- IUPAC Standard InChIKey: QCWXDVFBZVHKLV-UHFFFAOYSA-N
- CAS Registry Number: 98-51-1
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Benzene, 1-(1,1-dimethylethyl)-4-methyl-; Toluene, p-tert-butyl-; p-tert-Butyltoluene; 1-tert-Butyl-4-Methylbenzene; 1-Methyl-4-tert-butylbenzene; 4-tert-Butyl-1-Methylbenzene; 4-Methyl-tert-butylbenzene; Benzene, 1-methyl-4-tert-butyl-; p-Methyl-tert-butylbenzene; TBT; 4-t-Butyltoluene; 1-(1,1-Dimethylethyl)-4-methyl-benzene; p-t-Butyl toluene; NSC 6589
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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
View reactions leading to C11H16+ (ion structure unspecified)
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
8.28 ± 0.02 | EI | Orlov, Misharev, et al., 1986 | |
8.12 | PE | Baidin, Misharev, et al., 1985 | |
8.31 | PE | Baidin, Misharev, et al., 1985 | Vertical value |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C10H13+ | 9.6 ± 0.1 | CH3 | EI | Orlov, Misharev, et al., 1986 |
References
Go To: Top, 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.
Orlov, Misharev, et al., 1986
Orlov, V.; Misharev, A.; Takhistox, V.,
Determination of the enthalpy of formation of para-substituted α,α-dimethyl cations in the gas phase,
Izv. Akad. Nauk SSSR Ser. Khim., 1986, 9, 2006. [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, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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