Hexadecylcyclohexane

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Gas 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
Δfgas-110.06 ± 0.88kcal/molCcbProsen, Johnson, et al., 1946 

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
Δcliquid-3462.06 ± 0.83kcal/molCcbProsen, Johnson, et al., 1946Corresponding Δfliquid = -110.00 kcal/mol (simple calculation by NIST; no Washburn corrections)

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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tfus306.9KN/AMatsumoto, 1951Uncertainty assigned by TRC = 2. K; TRC
Tfus308.8KN/ALarsen, Thorpe, et al., 1942Uncertainty assigned by TRC = 1. K; TRC
Tfus305.2KN/APetrov and Chel'tsova, 1942Uncertainty assigned by TRC = 2. K; freezing point; TRC
Tfus304.15KN/APetrov and Chel'tsova, 1942Uncertainty assigned by TRC = 2. K; melting point; TRC
Tfus305.7KN/ASchmidt, 1942Uncertainty assigned by TRC = 1. K; TRC
Quantity Value Units Method Reference Comment
Δvap26.12kcal/molN/AReid, 1972AC

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Reference Comment
19.0522.Dykyj, Svoboda, et al., 1999Based on data from 507. to 689. K.; AC

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


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

Kovats' RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryOV-101210.2272.Kusmierz, Malinski, et al., 1985Column length: 22. m; Column diameter: 0.3 mm
CapillaryApiezon L190.2285.7Kusmierz, Malinski, et al., 1985He; Column length: 20. m; Column diameter: 0.3 mm
CapillarySE-52210.2280.1Kusmierz, Malinski, et al., 1985He; Column length: 40. m; Column diameter: 0.3 mm

Kovats' RI, non-polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryHP-5MS2279.Kenig, Simons, et al., 200530. m/0.25 mm/0.25 μm, He; Program: 60C(1.5min) => 20C/min => 130C => 4C/min => 315C (90min)

Kovats' RI, polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryCarbowax 20M170.2304.2Kusmierz, Malinski, et al., 1985He; Column length: 30. m; Column diameter: 0.25 mm

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.

Prosen, Johnson, et al., 1946
Prosen, E.J.; Johnson, W.H.; Rossini, F.D., Heats of formation and combustion of the normal alkylcyclopentanes and cyclohexanes and the increment per CH2 group for several homologous series of hydrocarbons, J. Res. NBS, 1946, 37, 51-56. [all data]

Matsumoto, 1951
Matsumoto, T., Dehydrogenation of Acetylcyclohexane with Selenium, Nippon Kagaku Zasshi, 1951, 72, 68. [all data]

Larsen, Thorpe, et al., 1942
Larsen, R.G.; Thorpe, R.E.; Armfield, F.A., Oxidation Characteristics of Pure Hydrocarbons, Ind. Eng. Chem., 1942, 34, 183. [all data]

Petrov and Chel'tsova, 1942
Petrov, A.D.; Chel'tsova, M.A., Synthesis and Properties of Hydrocarbons of the Aromatic and Naphthenic Series of the Composition C19-C26. II., J. Gen. Chem. USSR (Engl. Transl.), 1942, 12, 87-94. [all data]

Schmidt, 1942
Schmidt, A.W., Physical properties of aliphatic compounds, Ber. Dtsch. Chem. Ges. B, 1942, 75, 1399. [all data]

Reid, 1972
Reid, Robert C., Handbook on vapor pressure and heats of vaporization of hydrocarbons and related compounds, R. C. Wilhort and B. J. Zwolinski, Texas A Research Foundation. College Station, Texas(1971). 329 pages.$10.00, AIChE J., 1972, 18, 6, 1278-1278, https://doi.org/10.1002/aic.690180637 . [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]

Kusmierz, Malinski, et al., 1985
Kusmierz, J.; Malinski, E.; Czerwiec, W.; Szafranek, J., Kováts retention indices of high-molecular-weight monomethyl-, cyclopentyl-, cyclohexyl- and phenylalkanes, J. Chromatogr., 1985, 331, 219-228, https://doi.org/10.1016/0021-9673(85)80027-3 . [all data]

Kenig, Simons, et al., 2005
Kenig, F.; Simons, D.-J.H.; Crich, D.; Cowen, J.P.; Ventura, G.T.; Rehbein-Khalily, T., Structure and distribution of branched aliphatic alkanes with quaternary carbon atoms in Cenomanian and Turonian black shales of Pasquia Hills (Saskatchewan, Canada), Org. Geochem., 2005, 36, 1, 117-138, https://doi.org/10.1016/j.orggeochem.2004.06.014 . [all data]


Notes

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