1-Heptanethiol
- Formula: C7H16S
- Molecular weight: 132.267
- IUPAC Standard InChI: InChI=1S/C7H16S/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3
- IUPAC Standard InChIKey: VPIAKHNXCOTPAY-UHFFFAOYSA-N
- CAS Registry Number: 1639-09-4
- 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-Heptylmercaptan; Heptyl mercaptan; Heptyl thiol; Normal-heptyl mercaptan; USAF EK-2122; 1-Heptylthiol; heptane-1-thiol
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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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -35.73 ± 0.23 | kcal/mol | Ccr | Good and DePrater, 1966 |
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 | -47.93 ± 0.22 | kcal/mol | Ccr | Good and DePrater, 1966 | Reanalyzed by Cox and Pilcher, 1970, Original value = -47.82 ± 0.22 kcal/mol; ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -1300.90 ± 0.18 | kcal/mol | Ccr | Good and DePrater, 1966 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°liquid | 89.711 | cal/mol*K | N/A | Finke, McCullough, et al., 1970 | DH |
Constant pressure heat capacity of liquid
| Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 61.979 | 298.15 | Finke, McCullough, et al., 1970 | T = 10 to 370 K.; DH |
| 61.979 | 298.15 | Good and DePrater, 1966 | 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.
Good and DePrater, 1966
Good, W.D.; DePrater, B.L.,
The enthalpies of combustion and formation of the 1-alkanethiols. The methylene increment to the enthalpy of formation,
J. Phys. Chem., 1966, 70, 3606-3609. [all data]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]
Finke, McCullough, et al., 1970
Finke, H.L.; McCullough, J.P.; Messerly, J.F.; Gutherie, G.B.; Douslin, D.R.,
Chemical thermodynamic properties for 1-alkanethiols,
J. Chem. Thermodyn., 1970, 2, 27-41. [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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