Cyclohexane, chloro-
- Formula: C6H11Cl
- Molecular weight: 118.605
- IUPAC Standard InChI: InChI=1S/C6H11Cl/c7-6-4-2-1-3-5-6/h6H,1-5H2
- IUPAC Standard InChIKey: UNFUYWDGSFDHCW-UHFFFAOYSA-N
- CAS Registry Number: 542-18-7
- 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: Chlorocyclohexane; Cyclohexyl chloride; Monochlorocyclohexane
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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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°liquid | -49.98 ± 0.46 | kcal/mol | Ccb | An and Guo, 1995 | Author was aware that data differs from previously reported values; HCl(1:600 H2O) |
| ΔfH°liquid | -49.45 ± 0.50 | kcal/mol | Cm | Diky, Kabo, et al., 1994 | |
| ΔfH°liquid | -49.5 | kcal/mol | Cm | Kirkbride, 1956 | |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -895.69 ± 0.45 | kcal/mol | Ccb | An and Guo, 1995 | Author was aware that data differs from previously reported values; HCl(1:600 H2O) |
Reaction thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics 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
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
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By formula: C6H11Cl + HCl = C6H12 + Cl2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -34.20 | kcal/mol | Cm | Kirkbride, 1956 | liquid phase |
Gas phase ion energetics data
Go To: Top, Condensed phase thermochemistry data, Reaction 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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 10.10 ± 0.01 | PI | Sergeev, Akopyan, et al., 1973 | LLK |
| 10.67 | PE | Sergeev, Akopyan, et al., 1973 | Vertical value; LLK |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C4H6+ | 11.07 ± 0.03 | ? | PI | Sergeev, Akopyan, et al., 1973 | LLK |
| C4H7+ | 11.52 ± 0.05 | ? | PI | Sergeev, Akopyan, et al., 1973 | LLK |
| C4H8+ | 10.2 ± 0.01 | ? | PI | Sergeev, Akopyan, et al., 1973 | LLK |
| C4H9+ | 10.56 ± 0.02 | ? | PI | Sergeev, Akopyan, et al., 1973 | LLK |
| C5H7+ | 10.67 ± 0.05 | ? | PI | Sergeev, Akopyan, et al., 1973 | LLK |
| C5H9+ | 11.01 ± 0.02 | ? | PI | Sergeev, Akopyan, et al., 1973 | LLK |
| C6H9+ | 10.40 ± 0.02 | ? | PI | Sergeev, Akopyan, et al., 1973 | LLK |
| C6H10+ | 10.10 ± 0.05 | ? | PI | Sergeev, Akopyan, et al., 1973 | LLK |
| C6H11+ | 10.20 ± 0.05 | ? | PI | Sergeev, Akopyan, et al., 1973 | LLK |
References
Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
An and Guo, 1995
An, X.-W.; Guo, D.-J.,
Formation enthalpies and non-bonding interactions of hexachlorocyclohexanes,
Thermochim. Acta, 1995, 253, 235-242. [all data]
Diky, Kabo, et al., 1994
Diky, V.V.; Kabo, G.J.; Kozyro, A.A.; Krasulin, A.P.; Sevruk, V.M.,
Thermodynamic properties of crystalline and liquid chlorocyclohexane and inversion of ring,
J. Chem. Thermodyn., 1994, 26, 1001-1013. [all data]
Kirkbride, 1956
Kirkbride, F.W.,
The heats of chlorination of some hydrocarbons and their chloro-derivatives,
J. Appl. Chem., 1956, 6, 11-21. [all data]
Sergeev, Akopyan, et al., 1973
Sergeev, Yu.L.; Akopyan, M.E.; Vilesov, F.I.; Chizhov, Yu.V.,
Photoionization processes in gaseous cyclohexane, and chloro- and bromocyclohexane,
High Energy Chem., 1973, 7, 369, In original 418. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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