2-Propanethiol
- Formula: C3H8S
- Molecular weight: 76.161
- IUPAC Standard InChI: InChI=1S/C3H8S/c1-3(2)4/h3-4H,1-2H3
- IUPAC Standard InChIKey: KJRCEJOSASVSRA-UHFFFAOYSA-N
- CAS Registry Number: 75-33-2
- 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: Isopropanethiol; Isopropyl mercaptan; Isopropylthiol; 1-Methylethanethiol; 2-Mercaptopropane; 2-Propylmercaptan; iso-C3H7SH; Propanethiol-(2); 2-Propylthiol; NSC 87537; propane-2-thiol
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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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°liquid | -106.6 ± 0.63 | kJ/mol | Ccr | Hubbard and Waddington, 1954 | Heat of combustion calculated author's U=-671.76; ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -2819.3 ± 0.48 | kJ/mol | Ccr | Hubbard and Waddington, 1954 | Heat of combustion calculated author's U=-671.76; ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°liquid | 233.55 | J/mol*K | N/A | McCullough, Finke, et al., 1954 | DH |
Constant pressure heat capacity of liquid
| Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 145.35 | 298.15 | McCullough, Finke, et al., 1954 | T = 12 to 322 K.; DH |
References
Go To: Top, Condensed phase thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Hubbard and Waddington, 1954
Hubbard, W.N.; Waddington, G.,
The heat of combustion, formation and isomerization of propanethiol-1, propane-thiol-2 and 2-thiabutane,
Rec. Trav. Chim. Pays/Bas, 1954, 73, 910. [all data]
McCullough, Finke, et al., 1954
McCullough, J.P.; Finke, H.L.; Gross, M.E.; Messerly, J.F.; Pennington, R.E.; Waddington, G.,
2-Propanethiol: experimental thermodynamic studies from 12 to 500 K. The chemical thermodynamic properties from 0 to 1000 K,
J. Am. Chem. Soc., 1954, 76, 4796-4802. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid S°liquid Entropy of liquid at standard conditions ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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