3H-1,2-Benzodithiole-3-thione
- Formula: C7H4S3
- Molecular weight: 184.302
- IUPAC Standard InChI: InChI=1S/C7H4S3/c8-7-5-3-1-2-4-6(5)9-10-7/h1-4H
- IUPAC Standard InChIKey: MIGJSZGTNIFSCC-UHFFFAOYSA-N
- CAS Registry Number: 3354-42-5
- Chemical structure:
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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 |
|---|---|---|---|---|---|
| ΔfH°gas | 251. | kJ/mol | Ccb | Geiseler and Rauh, 1972 | Hf_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 |
|---|---|---|---|---|---|
| ΔfH°solid | 144. ± 5.0 | kJ/mol | Ccb | Geiseler and Rauh, 1972 | Hf_H2SO4.115H2O=-143.885 Kcal/mol |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -5276.0 ± 5.0 | kJ/mol | Ccb | Geiseler and Rauh, 1972 | Hf_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 |
|---|---|---|---|---|---|
| ΔsubH° | 107. ± 0.4 | kJ/mol | N/A | Geiseler and Rauh, 1972, 2 | AC |
| ΔsubH° | 107.0 | kJ/mol | V | Geiseler and Rauh, 1972 | Hf_H2SO4.115H2O=-143.885 Kcal/mol; ALS |
| ΔsubH° | 107.0 | kJ/mol | N/A | Geiseler and Rauh, 1972 | DRB |
Enthalpy of sublimation
| ΔsubH (kJ/mol) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 102.6 ± 0.4 | 355. | Geiseler and Rauh, 1972, 2 | Based on data from 350. to 361. K.; AC |
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 |
|---|---|---|---|
| 7.9 | PE | Gonbeau, Guimon, et al., 1975 | LLK |
| 8.10 | PE | Gonbeau, Guimon, et al., 1975 | Vertical value; LLK |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, 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.
Geiseler and Rauh, 1972
Geiseler, G.; Rauh, H.-J.,
Bildungsenthalpien und Mesomerieenergien von π-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]
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
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, References
- 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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