1-Dodecanethiol
- Formula: C12H26S
- Molecular weight: 202.400
- IUPAC Standard InChI: InChI=1S/C12H26S/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3
- IUPAC Standard InChIKey: WNAHIZMDSQCWRP-UHFFFAOYSA-N
- CAS Registry Number: 112-55-0
- 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-Dodecanethiol; n-Dodecyl mercaptan; n-Lauryl mercaptan; Dodecane-1-thiol; Dodecyl mercaptan; Lauryl mercaptan; 1-Dodecyl mercaptan; 1-Mercaptododecane; Dodecylthiol; Dodecanethiol-(1); NCI-C60935; Pennfloat M; Pennfloat S; n-Dodecylthiol; 1-Dodecylthiol; NSC 814
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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 by: Eugene S. Domalski and Elizabeth D. Hearing
Constant pressure heat capacity of liquid
| Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 105.83 | 300. | Tutubalina, Gabdrakhmanov, et al., 1982 | T = 273 to 373 K. Cp = 423.01 + 3.878x10-2 T + 9.070x10-5 T2. |
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
AC - William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 547.7 | K | N/A | Aldrich Chemical Company Inc., 1990 | BS |
Reduced pressure boiling point
| Tboil (K) | Pressure (atm) | Reference | Comment |
|---|---|---|---|
| 416.7 | 0.020 | Weast and Grasselli, 1989 | BS |
Enthalpy of vaporization
| ΔvapH (kcal/mol) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 14.8 | 435. | Dykyj, Svoboda, et al., 1999 | Based on data from 420. to 581. K.; AC |
References
Go To: Top, 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.
Tutubalina, Gabdrakhmanov, et al., 1982
Tutubalina, V.P.; Gabdrakhmanov, F.G.; Konyukhova, T.M.,
Study of the heat capacity of n-sulfides, 1982, Teplo-Massoobmen Khim. [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]
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [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]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid Tboil Boiling point ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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