Cyclohexane

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Phase change data

Go To: Top, IR Spectrum, 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
DH - Eugene S. Domalski and Elizabeth D. Hearing
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis

Quantity Value Units Method Reference Comment
Tboil353.9 ± 0.2KAVGN/AAverage of 93 out of 116 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus279.6 ± 0.3KAVGN/AAverage of 38 out of 47 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple279.7 ± 0.4KAVGN/AAverage of 8 values; Individual data points
Quantity Value Units Method Reference Comment
Tc554. ± 1.KAVGN/AAverage of 18 values; Individual data points
Quantity Value Units Method Reference Comment
Pc40.1 ± 0.5atmAVGN/AAverage of 8 values; Individual data points
Quantity Value Units Method Reference Comment
Vc0.308l/molN/ADaubert, 1996 
Vc0.309l/molN/AYoung, 1972Uncertainty assigned by TRC = 0.003 l/mol; TRC
Quantity Value Units Method Reference Comment
ρc3.24 ± 0.03mol/lN/ADaubert, 1996 
ρc3.26mol/lN/ATeja and Anselme, 1990Uncertainty assigned by TRC = 0.07 mol/l; TRC
ρc3.230mol/lN/ASimon, 1957Uncertainty assigned by TRC = 0.04 mol/l; TRC
ρc3.250mol/lN/AYoung, 1910Uncertainty assigned by TRC = 0.02 mol/l; TRC
ρc3.247mol/lN/AYoung and Fortey, 1899Uncertainty assigned by TRC = 0.06 mol/l; TRC
Quantity Value Units Method Reference Comment
Δvap7.91 ± 0.09kcal/molAVGN/AAverage of 19 out of 21 values; Individual data points

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
7.163353.9N/AMajer and Svoboda, 1985 
7.9670298.15N/AAston, Szasa, et al., 1943P = 13.18 kPa; DH
7.91315.EBGierycz, Kosowski, et al., 2009Based on data from 296. to 353. K.; AC
7.82315.N/ALubomska, Banas, et al., 2002Based on data from 300. to 345. K.; AC
7.62324.EBDiogo, Santos, et al., 1995Based on data from 313. to 336. K.; AC
7.70375.N/ALee and Holder, 1993Based on data from 360. to 470. K.; AC
7.72314.CDong, Lin, et al., 1988AC
7.43332.CDong, Lin, et al., 1988AC
7.24345.CDong, Lin, et al., 1988AC
7.17355.CDong, Lin, et al., 1988AC
7.39368.AStephenson and Malanowski, 1987Based on data from 353. to 414. K.; AC
7.07427.AStephenson and Malanowski, 1987Based on data from 412. to 491. K.; AC
7.07504.AStephenson and Malanowski, 1987Based on data from 489. to 553. K.; AC
7.86308.A,MMStephenson and Malanowski, 1987Based on data from 293. to 355. K. See also Willingham, Taylor, et al., 1945.; AC
7.72 ± 0.02313.CMajer, Svoboda, et al., 1979AC
7.46 ± 0.02333.CMajer, Svoboda, et al., 1979AC
7.41 ± 0.02338.CMajer, Svoboda, et al., 1979AC
7.27 ± 0.02348.CMajer, Svoboda, et al., 1979AC
7.19 ± 0.02353.CMajer, Svoboda, et al., 1979AC
7.70 ± 0.02313.CSvoboda, Veselý, et al., 1973AC
7.62 ± 0.02323.CSvoboda, Veselý, et al., 1973AC
7.43 ± 0.02333.CSvoboda, Veselý, et al., 1973AC
7.31 ± 0.02343.CSvoboda, Veselý, et al., 1973AC
7.19 ± 0.02354.CSvoboda, Veselý, et al., 1973AC
7.77318.N/AGaw and Swinton, 1968Based on data from 303. to 343. K.; AC
7.86313.N/ACruickshank and Cutler, 1967Based on data from 298. to 348. K.; AC
7.84331.N/AMarinichev and Susarev, 1965Based on data from 316. to 354. K.; AC
7.50 ± 0.02324.CMcCullough, Person, et al., 1951AC
7.27 ± 0.02346.CMcCullough, Person, et al., 1951AC
7.19354.N/ASpitzer and Pitzer, 1946AC

Enthalpy of vaporization

ΔvapH = A exp(-αTr) (1 − Tr)β
    ΔvapH = Enthalpy of vaporization (at saturation pressure) (kcal/mol)
    Tr = reduced temperature (T / Tc)

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Temperature (K) 292. to 422.
A (kcal/mol) 10.35
α -0.1437
β 0.4512
Tc (K) 553.4
ReferenceMajer and Svoboda, 1985

Entropy of vaporization

ΔvapS (cal/mol*K) Temperature (K) Reference Comment
26.721298.15Aston, Szasa, et al., 1943P; DH

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (atm)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
323. to 523.4.134121316.554-35.581Kerns, Anthony, et al., 1974Coefficents calculated by NIST from author's data.
303. to 343.3.98631216.93-48.621Gaw and Swinton, 1968, 2Coefficents calculated by NIST from author's data.
315.70 to 353.903.16554780.637-107.29Marinichev and Susarev, 1965, 2Coefficents calculated by NIST from author's data.
293.06 to 354.733.964171203.526-50.287Williamham, Taylor, et al., 1945 

Enthalpy of sublimation

ΔsubH (kcal/mol) Temperature (K) Method Reference Comment
6.60265.AStephenson and Malanowski, 1987Based on data from 223. to 280. K.; AC
11.1186.BBondi, 1963AC
8.89273.N/AJones, 1960Based on data from 268. to 278. K.; AC
9.01248.AStull, 1947Based on data from 228. to 268. K.; AC
8.72274.ARotinjanz and Nagornow, 1934Based on data from 269. to 279. K.; AC

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Reference Comment
0.641279.8Domalski and Hearing, 1996AC

Entropy of fusion

ΔfusS (cal/mol*K) Temperature (K) Reference Comment
8.65186.1Domalski and Hearing, 1996CAL
2.29279.8

Enthalpy of phase transition

ΔHtrs (kcal/mol) Temperature (K) Initial Phase Final Phase Reference Comment
1.598186.09crystaline, IIcrystaline, IAston, Szasa, et al., 1943DH
0.6281279.84crystaline, IliquidAston, Szasa, et al., 1943DH
1.6108186.1crystaline, IIcrystaline, IRuehrwein and Huffman, 1943DH
0.63979279.82crystaline, IliquidRuehrwein and Huffman, 1943DH
1.630186.4crystaline, IIcrystaline, IZiegler and Andrews, 1942DH
0.6520279.4crystaline, IliquidZiegler and Andrews, 1942DH
1.490185.9crystaline, IIcrystaline, IParks, Huffman, et al., 1930DH
0.5791279.3crystaline, IliquidParks, Huffman, et al., 1930DH

Entropy of phase transition

ΔStrs (cal/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
8.587186.09crystaline, IIcrystaline, IAston, Szasa, et al., 1943DH
2.24279.84crystaline, IliquidAston, Szasa, et al., 1943DH
8.654186.1crystaline, IIcrystaline, IRuehrwein and Huffman, 1943DH
2.29279.82crystaline, IliquidRuehrwein and Huffman, 1943DH
8.745186.4crystaline, IIcrystaline, IZiegler and Andrews, 1942DH
2.33279.4crystaline, IliquidZiegler and Andrews, 1942DH
8.014185.9crystaline, IIcrystaline, IParks, Huffman, et al., 1930DH
2.07279.3crystaline, IliquidParks, Huffman, et al., 1930DH

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:


IR Spectrum

Go To: Top, Phase change data, Mass spectrum (electron ionization), References, Notes

Data compiled by: Coblentz Society, Inc.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director


Mass spectrum (electron ionization)

Go To: Top, Phase change data, IR Spectrum, 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, 1998.
NIST MS number 291493

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References

Go To: Top, Phase change data, IR Spectrum, 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.

Daubert, 1996
Daubert, T.E., Vapor-Liquid Critical Properties of Elements and Compounds. 5. Branched Alkanes and Cycloalkanes, J. Chem. Eng. Data, 1996, 41, 365-372. [all data]

Young, 1972
Young, C.L., Gas-liquid critical properties of the cycloalkanes and their mixtures, Aust. J. Chem., 1972, 25, 1625-30. [all data]

Teja and Anselme, 1990
Teja, A.S.; Anselme, M.J., The critical properties of thermally stable and unstable fluids. II. 1986 results, AIChE Symp. Ser., 1990, 86, 279, 122-7. [all data]

Simon, 1957
Simon, M., Methods and Apparatus Used at the Bureau of Physicochemical Standards XV. Critical Constants and Straight-Line Diameters of Ten Hydrocarbons, Bull. Soc. Chim. Belg., 1957, 66, 375-81. [all data]

Young, 1910
Young, S., The Internal Heat of Vaporization constants of thirty pure substances, Sci. Proc. R. Dublin Soc., 1910, 12, 374. [all data]

Young and Fortey, 1899
Young, S.; Fortey, E.C., The Vapour Pressures, Specific Volumes and Critical Constants of Hexamethylene., J. Chem. Soc., Trans., 1899, 75, 873. [all data]

Majer and Svoboda, 1985
Majer, V.; Svoboda, V., Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]

Aston, Szasa, et al., 1943
Aston, J.G.; Szasa, G.J.; Fink, H.L., The heat capacity and entropy, heats of transition, fusion and vaporization and the vapor pressures of cyclohexane. The vibrational frequencies of alicyclic ring systems, J. Am. Chem. Soc., 1943, 65, 1135-1139. [all data]

Gierycz, Kosowski, et al., 2009
Gierycz, Pawel; Kosowski, Andrzej; Swietlik, Ryszard, Vapor-Liquid Equilibria in Binary Systems Formed by Cyclohexane with Alcohols, J. Chem. Eng. Data, 2009, 54, 11, 2996-3001, https://doi.org/10.1021/je900050z . [all data]

Lubomska, Banas, et al., 2002
Lubomska, Monika; Banas, Agnieszka; Malanowski, Stanislaw K., Vapor-Liquid Equilibrium in Binary Systems Formed by Allyl Alcohol with Benzene and with Cyclohexane, J. Chem. Eng. Data, 2002, 47, 6, 1466-1471, https://doi.org/10.1021/je025540l . [all data]

Diogo, Santos, et al., 1995
Diogo, Hermínio P.; Santos, Rui C.; Nunes, Paulo M.; Minas da Piedade, Manuel E., Ebulliometric apparatus for the measurement of enthalpies of vaporization, Thermochimica Acta, 1995, 249, 113-120, https://doi.org/10.1016/0040-6031(95)90678-9 . [all data]

Lee and Holder, 1993
Lee, Chang Ha; Holder, Gerald D., Vapor-liquid equilibria in the systems toluene/naphthalene and cyclohexane/naphthalene, J. Chem. Eng. Data, 1993, 38, 2, 320-323, https://doi.org/10.1021/je00010a034 . [all data]

Dong, Lin, et al., 1988
Dong, Jin-Quan; Lin, Rui-Sen; Yen, Wen-Hsing, Heats of vaporization and gaseous molar heat capacities of ethanol and the binary mixture of ethanol and benzene, Can. J. Chem., 1988, 66, 4, 783-790, https://doi.org/10.1139/v88-136 . [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Willingham, Taylor, et al., 1945
Willingham, C.B.; Taylor, W.J.; Pignocco, J.M.; Rossini, F.D., Vapor pressures and boiling points of some paraffin, alkylcyclopentane, alkylcyclohexane, and alkylbenzene hydrocarbons, J. RES. NATL. BUR. STAN., 1945, 35, 3, 219-17, https://doi.org/10.6028/jres.035.009 . [all data]

Majer, Svoboda, et al., 1979
Majer, Vladimír; Svoboda, Václav; Hála, Slavoj; Pick, Jirí, Temperature dependence of heats of vaporization of saturated hydrocarbons C5-C8; Experimental data and an estimation method, Collect. Czech. Chem. Commun., 1979, 44, 3, 637-651, https://doi.org/10.1135/cccc19790637 . [all data]

Svoboda, Veselý, et al., 1973
Svoboda, V.; Veselý, F.; Holub, R.; Pick, J., Enthalpy data of liquids. II. The dependence of heats of vaporization of methanol, propanol, butanol, cyclohexane, cyclohexene, and benzene on temperature, Collect. Czech. Chem. Commun., 1973, 38, 12, 3539-3543, https://doi.org/10.1135/cccc19733539 . [all data]

Gaw and Swinton, 1968
Gaw, W.J.; Swinton, F.L., Thermodynamic properties of binary systems containing hexafluorobenzene. Part 3.?Excess Gibbs free energy of the system hexafluorobenzene + cyclohexane, Trans. Faraday Soc., 1968, 64, 637, https://doi.org/10.1039/tf9686400637 . [all data]

Cruickshank and Cutler, 1967
Cruickshank, Austin J.B.; Cutler, A.J.B., Vapor pressure of cyclohexane, 25 to 75.degree., J. Chem. Eng. Data, 1967, 12, 3, 326-329, https://doi.org/10.1021/je60034a010 . [all data]

Marinichev and Susarev, 1965
Marinichev, A.N.; Susarev, M.P., Zh. Prikl. Khim. (S.-Peterburg), 1965, 38, 378. [all data]

McCullough, Person, et al., 1951
McCullough, J.P.; Person, W.B.; Spitzer, Ralph, The Heats of Vaporization and Vapor Heat Capacities of Some Dimethylcyclohexanes 1, J. Am. Chem. Soc., 1951, 73, 9, 4069-4071, https://doi.org/10.1021/ja01153a003 . [all data]

Spitzer and Pitzer, 1946
Spitzer, Ralph; Pitzer, Kenneth S., The Heat Capacity of Gaseous Cyclopentane, Cyclohexane and Methylcyclohexane, J. Am. Chem. Soc., 1946, 68, 12, 2537-2538, https://doi.org/10.1021/ja01216a032 . [all data]

Kerns, Anthony, et al., 1974
Kerns, W.J.; Anthony, R.G.; Eubank, P.T., Volumetric Properties of Cyclohexane Vapor, AIChE Symp. Ser., 1974, 70, 140, 14-21. [all data]

Gaw and Swinton, 1968, 2
Gaw, W.J.; Swinton, F.L., Thermodynamic Properties of Binary Systems Containing Hexafluorobenzene. Part 3. Excess Gibbs Free Energy of the System Hexafluorobenzene + Cyclohexane, Trans. Faraday Soc., 1968, 64, 637-647, https://doi.org/10.1039/tf9686400637 . [all data]

Marinichev and Susarev, 1965, 2
Marinichev, A.N.; Susarev, M.P., Study of a Liquid-Vapor Equilibrium in the Systems of Acetone/Methanol and Acetone/Cyclohexane at Temperatures 35, 45, 55 ºC and Pressure 760 Torr, Zh. Prikl. Khim. (Moscow), 1965, 38, 378-383. [all data]

Williamham, Taylor, et al., 1945
Williamham, C.B.; Taylor, W.J.; Pignocco, J.M.; Rossini, F.D., Vapor Pressures and Boiling Points of Some Paraffin, Alkylcyclopentane, Alkylcyclohexane, and Alkylbenzene Hydrocarbons, J. Res. Natl. Bur. Stand. (U.S.), 1945, 35, 3, 219-244, https://doi.org/10.6028/jres.035.009 . [all data]

Bondi, 1963
Bondi, A., Heat of Siblimation of Molecular Crystals: A Catalog of Molecular Structure Increments., J. Chem. Eng. Data, 1963, 8, 3, 371-381, https://doi.org/10.1021/je60018a027 . [all data]

Jones, 1960
Jones, A.H., Sublimation Pressure Data for Organic Compounds., J. Chem. Eng. Data, 1960, 5, 2, 196-200, https://doi.org/10.1021/je60006a019 . [all data]

Stull, 1947
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [all data]

Rotinjanz and Nagornow, 1934
Rotinjanz, L.; Nagornow, N., Z. Phys. Chem. Abt. A, 1934, 169, 20. [all data]

Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D., Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III, J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985 . [all data]

Ruehrwein and Huffman, 1943
Ruehrwein, R.A.; Huffman, H.M., Thermal data. XVII. The heat capacity, entropy and free energy of formation of cyclohexane. A new method of heat transfer in low temperature calorimetry, J. Am. Chem. Soc., 1943, 65, 1620-1625. [all data]

Ziegler and Andrews, 1942
Ziegler, W.T.; Andrews, D.H., The heat capacity of benzene-d6, J. Am. Chem. Soc., 1942, 64, 2482-2485. [all data]

Parks, Huffman, et al., 1930
Parks, G.S.; Huffman, H.M.; Thomas, S.B., Thermal data on organic compounds. VI. The heat capacities, entropies and free energies of some saturated, non-benzenoid hydrocarbons, J. Am. Chem. Soc., 1930, 52, 1032-1041. [all data]


Notes

Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References