Cyclohexane-d12

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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
liquid228.2J/mol*KN/AMraw and Naas-O'Rourke, 1980 

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
188.7298.15Mraw and Naas-O'Rourke, 1980T = 120 to 323.15 K.
183.84298.Nikolaev, Rabinovich, et al., 1966T = 10 to 50°C.

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:
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Δvap33.1kJ/molN/ADavis and Schiessler, 1953Based on data from 283. to 353. K.; AC

Enthalpy of phase transition

ΔHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
6.810186.0crystaline, IIcrystaline, IMraw and Naas-O'Rourke, 1980DH
2.620277.2crystaline, IliquidMraw and Naas-O'Rourke, 1980DH

Entropy of phase transition

ΔStrs (J/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
36.61186.0crystaline, IIcrystaline, IMraw and Naas-O'Rourke, 1980DH
9.452277.2crystaline, IliquidMraw and Naas-O'Rourke, 1980DH

Gas phase ion energetics 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:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

IE (eV) Method Reference Comment
9.90 ± 0.10EQLias, 1982LBLHLM
9.93 ± 0.15EQMautner(Meot-Ner), Sieck, et al., 1981LLK
9.88EQLias, Ausloos, et al., 1976LLK
9.91 ± 0.01SRaymonda, 1972LLK

Mass spectrum (electron ionization)

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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

Spectrum

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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

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References

Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics 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]

Lias, 1982
Lias, S.G., Thermochemical information from ion-molecule rate constants, Ion Cyclotron Reson. Spectrom. 1982, 1982, 409. [all data]

Mautner(Meot-Ner), Sieck, et al., 1981
Mautner(Meot-Ner), M.; Sieck, L.W.; Ausloos, P., Ionization of normal alkanes: Enthalpy, entropy, structural, and isotope effects, J. Am. Chem. Soc., 1981, 103, 5342. [all data]

Lias, Ausloos, et al., 1976
Lias, S.G.; Ausloos, P.; Horvath, Z., Charge transfer reactions in alkane and cycloalkane systems. Estimated ionization potentials, Int. J. Chem. Kinet., 1976, 8, 725. [all data]

Raymonda, 1972
Raymonda, J.W., Rydberg states in cyclic alkanes, J. Chem. Phys., 1972, 56, 3912. [all data]


Notes

Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), References