Benzoyl chloride, 4-(1,1-dimethylethyl)-
- Formula: C11H13ClO
- Molecular weight: 196.673
- 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
Go To: Top, Mass spectrum (electron ionization), References, Notes
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 |
Mass spectrum (electron ionization)
Go To: Top, Gas phase ion energetics 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | Japan AIST/NIMC Database- Spectrum MS-NW-7785 |
NIST MS number | 234957 |
References
Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), 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, Mass spectrum (electron ionization), References
- Symbols used in this document:
AE Appearance energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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