Cyclohexanethiol
- Formula: C6H12S
- Molecular weight: 116.224
- IUPAC Standard InChI: InChI=1S/C6H12S/c7-6-4-2-1-3-5-6/h6-7H,1-5H2
- IUPAC Standard InChIKey: CMKBCTPCXZNQKX-UHFFFAOYSA-N
- CAS Registry Number: 1569-69-3
- 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: Cyclohexyl mercaptan; Cyclohexyl thiol; Cyklohexylmerkaptan; Cyklohexanthiol
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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 | -33.55 ± 0.19 | kcal/mol | Ccr | Good, 1972 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -1084.52 ± 0.86 | kcal/mol | Ccr | Good, 1972 | Reanalyzed by Pedley, Naylor, et al., 1986, Original value = -1084.45 ± 0.16 kcal/mol; ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°liquid | 61.083 | cal/mol*K | N/A | Messerly and Todd, 1967 | DH |
Constant pressure heat capacity of liquid
| Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 46.040 | 298.15 | Messerly and Todd, 1967 | T = 10 to 370 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.
Good, 1972
Good, W.D.,
Enthalpies of combustion of 18 organic sulfur compounds related to petroleum,
J. Chem. Eng. Data, 1972, 17, 158-162. [all data]
Pedley, Naylor, et al., 1986
Pedley, J.B.; Naylor, R.D.; Kirby, S.P.,
Thermochemical Data of Organic Compounds, Chapman and Hall, New York, 1986, 1-792. [all data]
Messerly and Todd, 1967
Messerly, J.F.; Todd, S.S.,
and Guthrie, G.B.Jr, Low-temperature thermal properties of cyclohexanethiol and 2,4-dimethyl-3-thiapentane,
J. Chem. Eng. Data, 1967, 12, 426-429. [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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