1,2,4-Oxadiazole, 3,5-diphenyl-
- Formula: C14H10N2O
- Molecular weight: 222.2420
- IUPAC Standard InChI: InChI=1S/C14H10N2O/c1-3-7-11(8-4-1)13-15-14(17-16-13)12-9-5-2-6-10-12/h1-10H
- IUPAC Standard InChIKey: VIZNDSYPXQJMCM-UHFFFAOYSA-N
- CAS Registry Number: 888-71-1
- 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: 3,5-Diphenyl-1,2,4-oxadiazole
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Condensed phase thermochemistry 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔcH°solid | -1707.8 ± 2.7 | kcal/mol | Ccb | Milone and Allavena, 1931 | Reanalyzed by Cox and Pilcher, 1970, Original value = -1708. kcal/mol |
Gas phase ion energetics data
Go To: Top, Condensed phase thermochemistry 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: Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
| IE (eV) | Method | Reference |
|---|---|---|
| 9.2 ± 0.1 | EI | Cotter, 1964 |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C7H5N+ | 10.2 ± 0.1 | ? | EI | Cotter, 1964 | |
| C7H5NO+ | 10.8 ± 0.1 | ? | EI | Cotter, 1964 |
References
Go To: Top, Condensed phase thermochemistry 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.
Milone and Allavena, 1931
Milone, M.; Allavena, S.,
Sul calore di combustione di alcuni composti eterociclici,
Gazz. Chim. Ital., 1931, 61, 75-90. [all data]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]
Cotter, 1964
Cotter, J.L.,
Electron-impact fragmentation patterns of 3,5-diphenyl-1,2,4-oxadiazole and 2,5-diphenyl-1,3,4-oxadiazole,
J. Chem. Soc., 1964, 5491. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy ΔcH°solid Enthalpy of combustion of solid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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