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3H-1,2-Dithiole-3-thione, 5-phenyl-


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
Deltafgas310.kJ/molCcbGeiseler and Rauh, 1972Hf_H2SO4.115H2O=-143.885 Kcal/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
Deltafsolid187. ± 10.kJ/molCcbGeiseler and Rauh, 1972Hf_H2SO4.115H2O=-143.885 Kcal/mol
Quantity Value Units Method Reference Comment
Deltacsolid-6392. ± 10.kJ/molCcbGeiseler and Rauh, 1972Hf_H2SO4.115H2O=-143.885 Kcal/mol

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
DRB - Donald R. Burgess, Jr.

Quantity Value Units Method Reference Comment
Deltasub123.3 ± 0.4kJ/molN/AGeiseler and Rauh, 1972, 2AC
Deltasub123.3kJ/molVGeiseler and Rauh, 1972Hf_H2SO4.115H2O=-143.885 Kcal/mol; ALS
Deltasub123.0kJ/molN/AGeiseler and Rauh, 1972DRB

Enthalpy of sublimation

DeltasubH (kJ/mol) Temperature (K) Reference Comment
117.4 ± 0.4363. - 373.Geiseler and Rauh, 1972, 2AC

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Method Reference Comment
26.27398.DSCDollo, Corre, et al., 1999AC

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
7.8PEGonbeau, Guimon, et al., 1975LLK
8.11PEGonbeau, Guimon, et al., 1975Vertical value; LLK

Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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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 J.MOLLER PHYS. LAB., UNIV. COPENHAGEN, COPENHAGEN, DENMARK
NIST MS number 58194

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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.

Geiseler and Rauh, 1972
Geiseler, G.; Rauh, H.-J., Bildungsenthalpien und Mesomerieenergien von «pi»-Bindungssystemen 3. Mitteilung: Bildungsenthalpie und Verdrillung der S-S-Bindung in Trithionen, Z. Phys. Chem. (Leipzig), 1972, 249, 376-382. [all data]

Geiseler and Rauh, 1972, 2
Geiseler, G.; Rauh, H.J., Z. Phys. Chem. (Leipzig), 1972, 249, 376. [all data]

Dollo, Corre, et al., 1999
Dollo, Gilles; Corre, Pascal Le; Chollet, Marylene; Chevanne, Fran«65533»ois; Bertault, Marcel; Burgot, Jean-Louis; Verge, Roger Le, Improvement in solubility and dissolution rate of 1,2-dithiole-3-thiones upon complexation with?-cyclodextrin and its hydroxypropyl and sulfobutyl ether-7 derivatives, J. Pharm. Sci., 1999, 88, 9, 889-895, https://doi.org/10.1021/js990067o . [all data]

Gonbeau, Guimon, et al., 1975
Gonbeau, D.; Guimon, C.; Deschamps, J.; Pfister-Guillouzo, G., Electronic structure of sulphur compounds IX. Photoelectron spectra of various 1,2-dithiole-3-thiones, J. Electron Spectrosc. Relat. Phenom., 1975, 6, 99. [all data]


Notes

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