Cyclohexane-d12
- Formula: C6D12
- Molecular weight: 96.2334
- IUPAC Standard InChIKey: XDTMQSROBMDMFD-LBTWDOQPSA-N
- CAS Registry Number: 1735-17-7
- 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. - Species with the same structure:
- Isotopologues:
- Other names: [2H12]cyclohexane
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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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
S°liquid | 228.2 | J/mol*K | N/A | Mraw and Naas-O'Rourke, 1980 |
Constant pressure heat capacity of liquid
Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
188.7 | 298.15 | Mraw and Naas-O'Rourke, 1980 | T = 120 to 323.15 K. |
183.84 | 298. | Nikolaev, Rabinovich, et al., 1966 | T = 10 to 50°C. |
Phase change data
Go To: Top, Condensed phase thermochemistry data, Mass spectrum (electron ionization), 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:
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔvapH° | 33.1 | kJ/mol | N/A | Davis and Schiessler, 1953 | Based on data from 283. to 353. K.; AC |
Enthalpy of phase transition
ΔHtrs (kJ/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
6.810 | 186.0 | crystaline, II | crystaline, I | Mraw and Naas-O'Rourke, 1980 | DH |
2.620 | 277.2 | crystaline, I | liquid | Mraw and Naas-O'Rourke, 1980 | DH |
Entropy of phase transition
ΔStrs (J/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
36.61 | 186.0 | crystaline, II | crystaline, I | Mraw and Naas-O'Rourke, 1980 | DH |
9.452 | 277.2 | crystaline, I | liquid | Mraw and Naas-O'Rourke, 1980 | DH |
Mass spectrum (electron ionization)
Go To: Top, Condensed phase thermochemistry data, Phase change 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | NIST Mass Spectrometry Data Center, 1990. |
NIST MS number | 118596 |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Mraw and Naas-O'Rourke, 1980
Mraw, S.C.; Naas-O'Rourke, D.F.,
Thermodyanamic properties of cyclohexane-d12: low-temperature heat capacity and enthalpies of transition and fusion from accurate differential scanning calorimetry, and the entropy from spectroscopic results,
J. Chem. Thermodynam., 1980, 12, 691-704. [all data]
Nikolaev, Rabinovich, et al., 1966
Nikolaev, P.N.; Rabinovich, I.B.; Gal'perin, V.A.; Tsvetkov, V.G.,
Isotopic effect on the specific heat and compressibility of deuterocyclohexane,
Zhur. Fiz. Khim., 1966, 40, 1091-1097. [all data]
Davis and Schiessler, 1953
Davis, Raymond T.; Schiessler, Robert W.,
Vapor Pressures of Perdeuterobenzene and of Perdeuterocyclohex ane,
J. Phys. Chem., 1953, 57, 9, 966-968, https://doi.org/10.1021/j150510a027
. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid S°liquid Entropy of liquid at standard conditions ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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