1,2,3-Selenadiazole, 4-phenyl-
- Formula: C8H6N2Se
- Molecular weight: 209.11
- IUPAC Standard InChI: InChI=1S/C8H6N2Se/c1-2-4-7(5-3-1)8-6-11-10-9-8/h1-6H
- IUPAC Standard InChIKey: LEWDFWSHOZUNRZ-UHFFFAOYSA-N
- CAS Registry Number: 25660-64-4
- Chemical structure:
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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:
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔsubH° | 94.1 ± 0.8 | kJ/mol | GS | Arshadi and Shabrang, 1973 | AC |
Enthalpy of sublimation
| ΔsubH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 90.7 | 336. | A | Stephenson and Malanowski, 1987 | Based on data from 327. to 345. K.; AC |
| 91.2 ± 1.7 | 309. | ME | Arshadi, 1974 | Based on data from 275. to 343. K.; AC |
| 94.1 ± 0.8 | 327. | V | Arshadi and Shabrang, 1973, 2 | ALS |
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 as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.1 | PE | Bock, Aygen, et al., 1980 | LLK |
| 8.80 | PE | Bock, Aygen, et al., 1980 | Vertical value; LLK |
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.
Arshadi and Shabrang, 1973
Arshadi, M.R.; Shabrang, M.,
J. Chem. Soc. Perkins II, 1973, 1732. [all data]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Arshadi, 1974
Arshadi, Mohammed R.,
Determination of heats of sublimation of organic compounds by a mass spectrometric--knudsen effusion method,
J. Chem. Soc., Faraday Trans. 1, 1974, 70, 0, 1569, https://doi.org/10.1039/f19747001569
. [all data]
Arshadi and Shabrang, 1973, 2
Arshadi, M.R.; Shabrang, M.,
Heats of combustion and formation of 4-phenyl-1,2,3-selenadiazole and dibenzyl diselenide,
J. Chem. Soc. Perkin Trans. 2, 1973, 1732-1734. [all data]
Bock, Aygen, et al., 1980
Bock, H.; Aygen, S.; Rosmus, P.; Solouki, B.,
Analyse und optimierung von gasphasen-reaktionen. XVII. Selenoketen,
Chem. Ber., 1980, 113, 3187. [all data]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
ΔsubH Enthalpy of sublimation ΔsubH° Enthalpy of sublimation at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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