1,3-Benzodithiole-2-thione

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Gas 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
Δfgas242.0 ± 1.5kJ/molCcbRauh and Geiseler, 1973Reanalyzed by Cox and Pilcher, 1970, Original value = 243. ± 2. kJ/mol

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
Δcsolid-5256. ± 2.kJ/molCcbRauh and Geiseler, 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
Δsub118.8 ± 0.4kJ/molN/ARauh and Geiseler, 1973, 2See also Pedley and Rylance, 1977.; AC
Δsub119. ± 0.4kJ/molVRauh and Geiseler, 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 by: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

IE (eV) Method Reference Comment
8.14PEGuimon, Pfister-Guillouzo, et al., 1976Vertical value

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.

Rauh and Geiseler, 1973
Rauh, V.H.J.; Geiseler, G., Bildungsenthalpien und mesomerieenergien von π-bindungssystemen. 6. Mitteilung: Zur stabilität der isotrithione und isodithione, Z. Phys. Chem. (Leipzig), 1973, 252, 395-397. [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]

Rauh and Geiseler, 1973, 2
Rauh, H.-J.; Geiseler, G., Z. Phys. Chem. (Leipzig), 1973, 252, 395. [all data]

Pedley and Rylance, 1977
Pedley, J.B.; Rylance, J., , Computer Analysed Thermochemical Data: Organic and Organometallic Compounds, University of Sussex, Brighton, 1977. [all data]

Guimon, Pfister-Guillouzo, et al., 1976
Guimon, C.; Pfister-Guillouzo, G.; Arbelot, M., Spectres photoelectroniques de la dithiole-1,3-thione-2 et de son derive benzosubtitue, J. Mol. Struct., 1976, 30, 339. [all data]


Notes

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