Cyclohexanemethanethiol
- Formula: C7H14S
- Molecular weight: 130.251
- IUPAC Standard InChI: InChI=1S/C7H14S/c8-6-7-4-2-1-3-5-7/h7-8H,1-6H2
- IUPAC Standard InChIKey: FWBXAOOHHILPSR-UHFFFAOYSA-N
- CAS Registry Number: 2550-37-0
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
View 3d structure (requires JavaScript / HTML 5) - Other names: Cyclohexylmethanethiol; Methanethiol, cyclohexyl-; c-C6H11CH2SH; (Cyclohexylmethyl)thiol
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Reaction 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: John E. Bartmess
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
C7H13S- + =
By formula: C7H13S- + H+ = C7H14S
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 352.6 ± 2.2 | kcal/mol | G+TS | Taft, 1987 | gas phase; value altered from reference due to change in acidity scale |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 346.3 ± 2.0 | kcal/mol | IMRE | Taft, 1987 | gas phase; value altered from reference due to change in acidity scale |
Gas Chromatography
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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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Normal alkane RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | DC-200 | 70. | 1028. | Leppin, Gollnick, et al., 1969 | Argon; Column length: 100. m |
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Taft, 1987
Taft, R.W.,
The Nature and Analysis of Substitutent Electronic Effects,
Personal communication. See also Prog. Phys. Org. Chem., 1987, 16, 1. [all data]
Leppin, Gollnick, et al., 1969
Leppin, E.; Gollnick, K.; Schomburg, G.,
Gas chromatographic identification of isomeric mercaptans,
Chromatographia, 1969, 2, 12, 535-540, https://doi.org/10.1007/BF02260096
. [all data]
Notes
Go To: Top, Reaction thermochemistry data, Gas Chromatography, References
- Symbols used in this document:
ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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