Methanone, phenyl-2-pyridinyl-
- Formula: C12H9NO
- Molecular weight: 183.2060
- IUPAC Standard InChI: InChI=1S/C12H9NO/c14-12(10-6-2-1-3-7-10)11-8-4-5-9-13-11/h1-9H
- IUPAC Standard InChIKey: GCSHUYKULREZSJ-UHFFFAOYSA-N
- CAS Registry Number: 91-02-1
- 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: Ketone, phenyl 2-pyridyl; Phenyl 2-pyridyl ketone; 2-Benzoylpyridine; Pyridine, 2-benzoyl-
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Phase change data
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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 590.2 | K | N/A | Weast and Grasselli, 1989 | BS |
| Tboil | 590. | K | N/A | Buckingham and Donaghy, 1982 | BS |
| Quantity | Value | Units | Method | Reference | Comment |
| Tfus | 315. to 317. | K | N/A | Buckingham and Donaghy, 1982 | BS |
Reduced pressure boiling point
| Tboil (K) | Pressure (bar) | Reference | Comment |
|---|---|---|---|
| 444.2 | 0.013 | Weast and Grasselli, 1989 | BS |
| 443. to 445. | 0.013 | Buckingham and Donaghy, 1982 | BS |
Enthalpy of fusion
| ΔfusH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 20.91 | 316.5 | AC | Wang, Tan, et al., 2006 | Based on data from 80. to 340. K.; AC |
Gas phase ion energetics data
Go To: Top, Phase change 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: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
| IE (eV) | Method | Reference |
|---|---|---|
| 9.06 | EI | Schubert and Grutzmacher, 1980 |
| 9.06 | EI | Grutzmacher, Schaldach, et al., 1980 |
| 9.1 ± 0.1 | EI | Grutzmacher and Schubert, 1979 |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C7H5O+ | 11.7 ± 0.1 | C5H4N | EI | Grutzmacher and Schubert, 1979 | |
| C12H8NO+ | 9.97 | H | EI | Schubert and Grutzmacher, 1980 | |
| C12H8NO+ | 10.0 | H | EI | Grutzmacher, Schaldach, et al., 1980 |
References
Go To: Top, Phase change data, 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.
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 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]
Wang, Tan, et al., 2006
Wang, M.-H.; Tan, Z.-C.; Shi, Q.; Sun, L.-X.; Zhang, T.,
Heat capacities and thermodynamic properties of 2-benzoylpyridine (C12H9NO),
J Therm Anal Calorim, 2006, 84, 2, 413-418, https://doi.org/10.1007/s10973-005-6971-6
. [all data]
Schubert and Grutzmacher, 1980
Schubert, R.; Grutzmacher, H.-F.,
Kinetic energy release and position of transition state during the intramolecular substitution of ionized 2-benzoyl pyridines,
Org. Mass Spectrom., 1980, 15, 122. [all data]
Grutzmacher, Schaldach, et al., 1980
Grutzmacher, H.-F.; Schaldach, B.; Schubert, R.; Ramana, D.V.,
Ion kinetic energy release as a transition state probe in intramolecular aromatic substitutions,
Adv. Mass Spectrom., 1980, 8, 795. [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, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy Tboil Boiling point Tfus Fusion (melting) point ΔfusH Enthalpy of fusion - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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