Benzoyl fluoride
- Formula: C7H5FO
- Molecular weight: 124.1124
- IUPAC Standard InChIKey: HPMLGNIUXVXALD-UHFFFAOYSA-N
- CAS Registry Number: 455-32-3
- Chemical structure:
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Phase change data
Go To: Top, Gas phase ion energetics data, 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 by: Robert L. Brown and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 433.2 | K | N/A | Aldrich Chemical Company Inc., 1990 | |
Tboil | 433. | K | N/A | American Tokyo Kasei, 1988 | |
Tboil | 432. to 434. | K | N/A | Buckingham and Donaghy, 1982 |
Gas phase ion energetics data
Go To: Top, Phase change data, 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:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
9.4 | PE | Peel and Von Nagy-Felsobuki, 1987 | LBLHLM |
9.5 | PE | Gan, Livett, et al., 1984 | LBLHLM |
9.78 | PI | McLoughlin and Traeger, 1979 | LLK |
10.6 | EI | Elder, Beynon, et al., 1976 | LLK |
10.6 | EI | Majer and Patrick, 1963 | RDSH |
9.67 | PE | Peel and Von Nagy-Felsobuki, 1987 | Vertical value; LBLHLM |
9.80 | PE | Gan, Livett, et al., 1984 | Vertical value; LBLHLM |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C7H5O+ | 11.42 | F | PI | McLoughlin and Traeger, 1979 | LLK |
C7H5O+ | 11.5 | F | EI | Elder, Beynon, et al., 1976 | LLK |
C7H5O+ | 11.5 | F | EI | Majer and Patrick, 1963 | RDSH |
Mass spectrum (electron ionization)
Go To: Top, Phase change data, 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 | Chemical Concepts |
NIST MS number | 158127 |
References
Go To: Top, Phase change data, 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.
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]
American Tokyo Kasei, 1988
American Tokyo Kasei,
TCI American Organic Chemical 88/89 Catalog, American Tokyo Kasei, Portland, OR, 1988, 1610. [all data]
Buckingham and Donaghy, 1982
Buckingham, J.; Donaghy, S.M.,
Dictionary of Organic Compounds: Fifth Edition, Chapman and Hall, New York, 1982, 1. [all data]
Peel and Von Nagy-Felsobuki, 1987
Peel, J.B.; Von Nagy-Felsobuki, E.I.,
The photoelectron spectra of the fluorotoluenes,
J. Mol. Struct., 1987, 159, 195. [all data]
Gan, Livett, et al., 1984
Gan, T.H.; Livett, M.K.; Peel, J.B.,
Comparative He I and He II photoelectron spectroscopic studies of the benzoyl halides,
J. Chem. Soc. Faraday Trans. 2, 1984, 80, 1281. [all data]
McLoughlin and Traeger, 1979
McLoughlin, R.G.; Traeger, J.C.,
A photoionization study of some benzoyl compounds - thermochemistry of [C7H5O]+ formation,
Org. Mass Spectrom., 1979, 14, 434. [all data]
Elder, Beynon, et al., 1976
Elder, J.F.; Beynon, J.H.; Cooks, R.G.,
The benzoyl ion. Thermochemistry and kinetic energy release,
Org. Mass Spectrom., 1976, 11, 415. [all data]
Majer and Patrick, 1963
Majer, J.R.; Patrick, C.R.,
Appearance potentials of the benzoyl radical-ion,
J. Chem. Soc. Faraday Trans., 1963, 59, 1274. [all data]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), References
- Symbols used in this document:
AE Appearance energy Tboil Boiling point - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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