1,2,3-Selenadiazole, 4-phenyl-


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
Δfsolid85.6 ± 2.0kcal/molCcbArshadi and Shabrang, 1973 
Quantity Value Units Method Reference Comment
Δcsolid-1097.0 ± 2.0kcal/molCcbArshadi 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
Δsub22.5 ± 0.2kcal/molGSArshadi and Shabrang, 1973, 2AC

Enthalpy of sublimation

ΔsubH (kcal/mol) Temperature (K) Method Reference Comment
21.7336.AStephenson and Malanowski, 1987Based on data from 327. to 345. K.; AC
21.8 ± 0.41309.MEArshadi, 1974Based on data from 275. to 343. K.; AC
22.5 ± 0.2327.VArshadi and Shabrang, 1973ALS

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
8.1PEBock, Aygen, et al., 1980LLK
8.80PEBock, Aygen, et al., 1980Vertical value; LLK

References

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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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