1,2,3-Selenadiazole, 4-phenyl-
- Formula: C8H6N2Se
- Molecular weight: 209.11
- IUPAC Standard InChIKey: LEWDFWSHOZUNRZ-UHFFFAOYSA-N
- CAS Registry Number: 25660-64-4
- Chemical structure:
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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 |
---|---|---|---|---|---|
ΔfH°gas | 108.1 ± 2.0 | kcal/mol | Ccb | Arshadi and Shabrang, 1973 |
Condensed phase thermochemistry 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 compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°solid | 85.6 ± 2.0 | kcal/mol | Ccb | Arshadi and Shabrang, 1973 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -1097.0 ± 2.0 | kcal/mol | Ccb | Arshadi and Shabrang, 1973 |
Phase change 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 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° | 22.5 ± 0.2 | kcal/mol | GS | Arshadi and Shabrang, 1973, 2 | AC |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
21.7 | 336. | A | Stephenson and Malanowski, 1987 | Based on data from 327. to 345. K.; AC |
21.8 ± 0.41 | 309. | ME | Arshadi, 1974 | Based on data from 275. to 343. K.; AC |
22.5 ± 0.2 | 327. | V | Arshadi and Shabrang, 1973 | ALS |
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 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 |
Mass spectrum (electron ionization)
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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 compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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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 | Chemical Concepts |
NIST MS number | 151288 |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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.,
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]
Arshadi and Shabrang, 1973, 2
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]
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
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- Symbols used in this document:
ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions 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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