Benzoyl chloride, 4-(1,1-dimethylethyl)-
- Formula: C11H13ClO
- Molecular weight: 196.673
- IUPAC Standard InChI: InChI=1S/C11H13ClO/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3
- IUPAC Standard InChIKey: WNLMYNASWOULQY-UHFFFAOYSA-N
- CAS Registry Number: 1710-98-1
- 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: 4-tert-Butylbenzoyl chloride; p-tert-Butylbenzoyl chloride
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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 as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 9.14 | PI | Takhistov, Misharev, et al., 1995 | LL |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| CH3+ | 14.9 | ? | EI | Fraser and Paul, 1968 | RDSH |
| C10H10ClO+ | 9.49 | CH3 | PI | Takhistov, Misharev, et al., 1995 | LL |
| C11H13O+[(CH3)3CC6H4CO+] | 9.42 | Cl | PI | Takhistov, Misharev, et al., 1995 | LL |
| NO2+ | 11.8 | C3H7O | EI | Fraser and Paul, 1968 | RDSH |
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.
Takhistov, Misharev, et al., 1995
Takhistov, V.V.; Misharev, A.D.; Orlov, V.M.; Ponomarev, D.A.; Voss, J.,
Thermochemistry and mass spectrometry of aromatic compounds with tertiary alkyl groups,
Eur. Mass Spectrom., 1995, 1, 353. [all data]
Fraser and Paul, 1968
Fraser, R.T.M.; Paul, N.C.,
The mass spectrometry of nitrate esters and related compounds. Part I,
J. Chem. Soc. B, 1968, 659. [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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