1,3-Propanedithiol
- Formula: C3H8S2
- Molecular weight: 108.226
- IUPAC Standard InChI: InChI=1S/C3H8S2/c4-2-1-3-5/h4-5H,1-3H2
- IUPAC Standard InChIKey: ZJLMKPKYJBQJNH-UHFFFAOYSA-N
- CAS Registry Number: 109-80-8
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Dithiotrimethyleneglycol; Trimethylene dimercaptan; Trimethylenedithioglycol; Trimethylenedithiol; 1,3-Dimercaptopropane; 1,3-Propanedimercaptan; NDR-132; propane-1,3-dithiol
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -29.8 ± 1.2 | kJ/mol | Ccb | Mansson and Sunner, 1962 | hf298_H2SO4.115=-212.24 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°liquid | -79.5 ± 1.2 | kJ/mol | Ccb | Mansson and Sunner, 1962 | hf298_H2SO4.115=-212.24 kcal/mol |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -3449.2 ± 1.1 | kJ/mol | Ccb | Mansson and Sunner, 1962 | hf298_H2SO4.115=-212.24 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:
BS - Robert L. Brown and Stephen E. Stein
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 442.2 | K | N/A | Aldrich Chemical Company Inc., 1990 | BS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔvapH° | 49.66 | kJ/mol | N/A | Majer and Svoboda, 1985 | |
| ΔvapH° | 49.7 ± 0.1 | kJ/mol | V | Mansson and Sunner, 1962 | hf298_H2SO4.115=-212.24 kcal/mol; ALS |
| ΔvapH° | 49.7 | kJ/mol | N/A | Mansson and Sunner, 1962 | DRB |
| ΔvapH° | 49.7 | kJ/mol | N/A | Mansson and Sunner, 1962 | AC |
Enthalpy of vaporization
| ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 50.9 | 353. | N/A | Dykyj, Svoboda, et al., 1999 | Based on data from 338. to 446. K.; AC |
| 41.6 | 398. | A | Stephenson and Malanowski, 1987 | Based on data from 377. to 446. K.; AC |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Mansson and Sunner, 1962
Mansson, M.; Sunner, S.,
Heats of combustion and formation of the n-Alkane-αω-dithiols from ethane through pentane,
Acta Chem. Scand., 1962, 16, 1863-1869. [all data]
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]
Majer and Svoboda, 1985
Majer, V.; Svoboda, V.,
Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]
Dykyj, Svoboda, et al., 1999
Dykyj, J.; Svoboda, J.; Wilhoit, R.C.; Frenkel, M.L.; Hall, K.R.,
Vapor Pressure of Chemicals: Part A. Vapor Pressure and Antoine Constants for Hydrocarbons and Sulfur, Selenium, Tellurium and Hydrogen Containing Organic Compounds, Springer, Berlin, 1999, 373. [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]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
Tboil Boiling point ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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