Phenyl 4-pyridyl ketone
- Formula: C12H9NO
- Molecular weight: 183.2060
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: SKFLCXNDKRUHTA-UHFFFAOYSA-N
- CAS Registry Number: 14548-46-0
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: Methanone, phenyl-4-pyridinyl-; Ketone, phenyl 4-pyridyl; «gamma»-Benzoylpyridine; Ba 33215; 4-Benzoylpyridine; 4-Pyridyl phenyl ketone; Pyridine, 4-benzoyl-; Phenyl(4-pyridinyl)methanone; NSC 9488
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Phase change data
Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), References, Notes
Data compiled as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny, director
|Tboil||588.2||K||N/A||Aldrich Chemical Company Inc., 1990||BS|
|Tboil||588.||K||N/A||Buckingham and Donaghy, 1982||BS|
|Tfus||348.||K||N/A||Kolev and Bleckmann, 1990||Uncertainty assigned by TRC = 1.5 K; TRC|
|Tfus||344.6 - 345.6||K||N/A||Buckingham and Donaghy, 1982||BS|
Gas phase ion energetics data
Go To: Top, Phase change data, Mass spectrum (electron ionization), References, Notes
Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
|9.6 ± 0.1||EI||Grutzmacher and Schubert, 1979||LLK|
Appearance energy determinations
|Ion||AE (eV)||Other Products||Method||Reference||Comment|
|C7H5O+||10.8 ± 0.1||C5H4N||EI||Grutzmacher and Schubert, 1979||LLK|
Mass spectrum (electron ionization)
Go To: Top, Phase change data, Gas phase ion energetics data, References, Notes
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
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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- 370|
|NIST MS number||228714|
Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), Notes
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [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]
Kolev and Bleckmann, 1990
Kolev, T.; Bleckmann, P., Vibrational spectra of 4-benzoylpyridine and the oxygen-18 substituted derivative, Spectrosc. Lett., 1990, 23, 391-404. [all data]
Grutzmacher and Schubert, 1979
Grutzmacher, H.-F.; Schubert, R., Substituent effects in the mass spectra of benzoyl hetarenes, Org. Mass Spectrom., 1979, 14, 567. [all data]
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 Tfus Fusion (melting) point
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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