Phenyl 3-pyridyl ketone
- Formula: C12H9NO
- Molecular weight: 183.2060
- IUPAC Standard InChI: InChI=1S/C12H9NO/c14-12(10-5-2-1-3-6-10)11-7-4-8-13-9-11/h1-9H
- IUPAC Standard InChIKey: RYMBAPVTUHZCNF-UHFFFAOYSA-N
- CAS Registry Number: 5424-19-1
- 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: Methanone, phenyl-3-pyridinyl-; Ketone, phenyl 3-pyridyl; 3-Benzoylpyridine; Pyridine, 3-benzoyl-; 3-Pyridyl phenyl ketone
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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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Proton affinity (review) | 934.1 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
| Quantity | Value | Units | Method | Reference | Comment |
| Gas basicity | 902.3 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 9.6 ± 0.1 | EI | Grutzmacher and Schubert, 1979 | LLK |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C7H5O+ | 11.7 ± 0.1 | C5H4N | EI | Grutzmacher and Schubert, 1979 | LLK |
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.
Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G.,
Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update,
J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018
. [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]
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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