1-Pentanethiol
- Formula: C5H12S
- Molecular weight: 104.214
- IUPAC Standard InChI: InChI=1S/C5H12S/c1-2-3-4-5-6/h6H,2-5H2,1H3
- IUPAC Standard InChIKey: ZRKMQKLGEQPLNS-UHFFFAOYSA-N
- CAS Registry Number: 110-66-7
- 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: n-Amyl mercaptan; n-Pentyl mercaptan; Amyl hydrosulfide; Amyl mercaptan; Amyl sulfhydrate; Amyl thioalcohol; Pentane-1-thiol; Pentanethiol; Pentyl mercaptan; 1-Mercaptopentane; CH3(CH2)4SH; Mercaptan amylique; Pentalarm; 1-Pentanthiol; 1-Pentylthiol
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry 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 as indicated in comments:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -109.7 | kJ/mol | N/A | Sunner, 1963 | Value computed using ΔfHliquid° value of -150.9±0.8 kj/mol from Sunner, 1963 and ΔvapH° value of 41.2 kj/mol from Hubbard, Katz, et al., 1954.; DRB |
| ΔfH°gas | -110.8 ± 1.8 | kJ/mol | Ccr | Hubbard, Katz, et al., 1954 | Heat of combustion calculated author's U=-985.05; ALS |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry 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 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 | -150.9 ± 0.84 | kJ/mol | Ccr | Sunner, 1963 | correction of Sunner, 1955; ALS |
| ΔfH°liquid | -152.0 ± 1.7 | kJ/mol | Ccr | Hubbard, Katz, et al., 1954 | Heat of combustion calculated author's U=-985.05; ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -4133.8 | kJ/mol | Ccr | Sunner, 1963 | correction of Sunner, 1955; ALS |
| ΔcH°liquid | -4132.6 ± 1.5 | kJ/mol | Ccr | Hubbard, Katz, et al., 1954 | Heat of combustion calculated author's U=-985.05; ALS |
| ΔcH°liquid | -4151. | kJ/mol | Ccb | Berthelot, 1901 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°liquid | 310.37 | J/mol*K | N/A | Finke, Scott, et al., 1952 | DH |
Constant pressure heat capacity of liquid
| Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 201.17 | 296.21 | Finke, Scott, et al., 1952 | T = 12 to 320 K. Value is unsmoothed experimental datum.; DH |
References
Go To: Top, Gas phase thermochemistry data, 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.
Sunner, 1963
Sunner, S.,
Corrected heat of combustion and formation values for a number of organic sulphur compounds,
Acta Chem. Scand., 1963, 17, 728-730. [all data]
Hubbard, Katz, et al., 1954
Hubbard, W.N.; Katz, C.; Waddington, G.,
A rotating combustion bomb for precision calorimetry. Heats of combustion of some sulfur-containing compounds,
J. Phys. Chem., 1954, 58, 142. [all data]
Sunner, 1955
Sunner, S.,
Thermochemical investigation on organic sulfur compounds IV. On thermochemical sulfur bond energy terms,
Acta Chem. Scand., 1955, 9, 837-846. [all data]
Berthelot, 1901
Berthelot, M.,
Chimie Organique. - Nouvelles recherches sur l'isomerie des ethers sulfocyaniques,
Compt. Rend., 1901, 132, 57-58. [all data]
Finke, Scott, et al., 1952
Finke, H.L.; Scott, D.W.; Gross, M.E.; Waddington, G.; Huffman, H.M.,
The entropy and vapor pressure of 1-pentanethiol,
J. Am. Chem. Soc., 1952, 74, 2804-2806. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, 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°gas Enthalpy of formation of gas 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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