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Cyclohexane, ethyl-

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, 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:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
Deltafgas-172.6kJ/molN/ABaroody and Carpenter, 1972Value computed using «DELTA»fHliquid° value of -213.0 kj/mol from Baroody and Carpenter, 1972 and «DELTA»vapH° value of 40.4 kj/mol from Prosen, Johnson, et al., 1946.; DRB
Deltafgas-171.8 ± 1.5kJ/molCcbProsen, Johnson, et al., 1946ALS
Quantity Value Units Method Reference Comment
gas382.67J/mol*KN/AHuffman H.M., 1949GT

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
40.9550.Thermodynamics Research Center, 1997p=1 bar. There is an appreciable difference, mainly at high temperatures, with values estimated earlier by a method of increments [ Beckett C.W., 1947].; GT
62.69100.
87.23150.
111.7200.
150.0273.15
163.9298.15
164.9300.
219.6400.
268.2500.
308.9600.
342.9700.
371.6800.
396.1900.
416.91000.
434.81100.
450.21200.
463.41300.
474.91400.
484.81500.
504.21750.
518.22000.
528.62250.
536.32500.
542.32750.
547.03000.

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
152.23298.15Colgate S.O., 1990These heat capacities determined from acoustical measurements are significantly lower than statistically calculated values [ Thermodynamics Research Center, 1997] (Cp(298.15 K)=163.9 J/mol*K) and values estimated by a method of increments [ Beckett C.W., 1947] (Cp(298.15 K)=158.6 J/mol*K). At the same time, the heat capacities of ethylbenzene determined in this work are only slightly below than calorimetric ones.; GT
170.36323.15
197.90373.15
217.63408.15
239.88448.15

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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Deltafliquid-213.kJ/molCcbBaroody and Carpenter, 1972ALS
Deltafliquid-212.2 ± 1.5kJ/molCcbProsen, Johnson, et al., 1946ALS
Quantity Value Units Method Reference Comment
Deltacliquid-5222.6 ± 1.5kJ/molCcbProsen, Johnson, et al., 1946Corresponding «DELTA»fliquid = -212.1 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid280.91J/mol*KN/AHuffman, Todd, et al., 1949DH
liquid281.6J/mol*KN/AParks, Moore, et al., 1949Extrapolation below 80 K, 57.74 J/mol*K.; DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
211.79298.15Huffman, Todd, et al., 1949T = 12 to 310 K.; DH
214.2298.15Parks, Moore, et al., 1949T = 80 to 300 K.; DH

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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny, director
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

Quantity Value Units Method Reference Comment
Tboil405. ± 2.KAVGN/AAverage of 37 out of 39 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus161. ± 3.KAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple161.84KN/AHuffman, Todd, et al., 1949, 2Uncertainty assigned by TRC = 0.05 K; TRC
Ttriple161.4KN/AParks, Moore, et al., 1949, 2Uncertainty assigned by TRC = 0.2 K; TRC
Quantity Value Units Method Reference Comment
Tc609.KN/AMajer and Svoboda, 1985 
Quantity Value Units Method Reference Comment
Deltavap40.2 ± 0.8kJ/molAVGN/AAverage of 9 values; Individual data points

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
34.04405.N/AMajer and Svoboda, 1985 
38.6338.A,MMStephenson and Malanowski, 1987Based on data from 323. - 407. K. See also Willingham, Taylor, et al., 1945.; AC
39.8 ± 0.1313.CSvoboda, Charvátová, et al., 1981AC
38.9 ± 0.1328.CSvoboda, Charvátová, et al., 1981AC
37.9 ± 0.1343.CSvoboda, Charvátová, et al., 1981AC
37.0 ± 0.1358.CSvoboda, Charvátová, et al., 1981AC
36.3 ± 0.1368.CSvoboda, Charvátová, et al., 1981AC

Enthalpy of vaporization

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

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Temperature (K) A (kJ/mol) beta Tc (K) Reference Comment
298. - 368.57.080.294609.Majer and Svoboda, 1985 

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
8.3333161.84Huffman, Todd, et al., 1949DH
8.5161.5Mandanici, Cutroni, et al., 2006AC
8.33161.4Domalski and Hearing, 1996AC
8.276161.4Parks, Moore, et al., 1949DH

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
51.49161.84Huffman, Todd, et al., 1949DH
51.3161.4Parks, Moore, et al., 1949DH

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:


Reaction 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

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

Cyclohexane, ethylidene- + Hydrogen = Cyclohexane, ethyl-

By formula: C8H14 + H2 = C8H16

Quantity Value Units Method Reference Comment
Deltar-110. ± 1.kJ/molChydRogers and McLafferty, 1971liquid phase; solvent: Hydrocarbon
Deltar-110.1 ± 0.2kJ/molChydTurner and Garner, 1958liquid phase; solvent: Acetic acid
Deltar-110.1 ± 0.2kJ/molChydTurner and Garner, 1957liquid phase; solvent: Acetic acid

Hydrogen + Cyclohexene, 1-ethyl- = Cyclohexane, ethyl-

By formula: H2 + C8H14 = C8H16

Quantity Value Units Method Reference Comment
Deltar-104.9 ± 0.54kJ/molChydTurner and Garner, 1958liquid phase; solvent: Acetic acid
Deltar-104.9 ± 0.54kJ/molChydTurner and Garner, 1957liquid phase; solvent: Acetic acid

Styrene + 4Hydrogen = Cyclohexane, ethyl-

By formula: C8H8 + 4H2 = C8H16

Quantity Value Units Method Reference Comment
Deltar-320.1 ± 1.0kJ/molChydDolliver, Gresham, et al., 1937gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -324.2 ± 0.84 kJ/mol; At 355 °K

Ethylbenzene + 3Hydrogen = Cyclohexane, ethyl-

By formula: C8H10 + 3H2 = C8H16

Quantity Value Units Method Reference Comment
Deltar-201.6 ± 0.42kJ/molChydDolliver, Gresham, et al., 1937gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -204.7 ± 0.4 kJ/mol; At 355 °K

Hydrogen + Cyclohexane, ethenyl- = Cyclohexane, ethyl-

By formula: H2 + C8H14 = C8H16

Quantity Value Units Method Reference Comment
Deltar-117. ± 3.kJ/molChydRogers and McLafferty, 1971liquid phase; solvent: Hydrocarbon

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction 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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Gas Phase Spectrum

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IR spectrum
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Additional Data

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Owner NIST Standard Reference Data Program
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Sadtler Research Labs Under US-EPA Contract
State gas

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry 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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Mass 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 113476

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry 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.

Baroody and Carpenter, 1972
Baroody, E.E.; Carpenter, G.A., Heats of formation of propellant compounds (U), Rpt. Naval Ordnance Systems Command Task No. 331-003/067-1/UR2402-001 for Naval Ordance Station, Indian Head, MD, 1972, 1-9. [all data]

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]

Huffman H.M., 1949
Huffman H.M., Low-temperature thermal data on eight C8H16 alkylcyclohexanes, J. Am. Chem. Soc., 1949, 71, 584-592. [all data]

Thermodynamics Research Center, 1997
Thermodynamics Research Center, Selected Values of Properties of Chemical Compounds., Thermodynamics Research Center, Texas A&M University, College Station, Texas, 1997. [all data]

Beckett C.W., 1947
Beckett C.W., The thermodynamic properties and molecular structure of cyclohexane, methylcyclohexane, ethylcyclohexane, and seven dimethylcyclohexanes, J. Am. Chem. Soc., 1947, 69, 2488-2495. [all data]

Colgate S.O., 1990
Colgate S.O., Acoustical determination of ideal gas heat capacities of three C-8 compounds, Fluid Phase Equilib., 1990, 60, 191-203. [all data]

Huffman, Todd, et al., 1949
Huffman, H.M.; Todd, S.S.; Oliver, G.D., Low temperature thermal data on eight C8H16 alkylcyclohexanes, J. Am. Chem. Soc., 1949, 71, 584-592. [all data]

Parks, Moore, et al., 1949
Parks, G.S.; Moore, G.E.; Renquist, M.L.; Naylor, B.F.; McClaine, L.A.; Fujii, P.S.; Hatton, J.A., Thermal data on organic compounds. XXV. Some heat capacity, entropy and free energy data for nine hydrocarbons of high molecular weight, J. Am. Chem. Soc., 1949, 71, 3386-3389. [all data]

Huffman, Todd, et al., 1949, 2
Huffman, H.M.; Todd, S.S.; Oliver, G.D., Low Temperature Thermal Data on Eight C8H16 Alkylcyclohexanes, J. Am. Chem. Soc., 1949, 71, 584. [all data]

Parks, Moore, et al., 1949, 2
Parks, G.S.; Moore, G.E.; Renquist, M.L.; Naylor, B.F.; McClaine, L.A.; Fujii, P.S.; Hatton, J.A., Thermal Data on Organic Compounds. XXV. Some Heat Capacity, Entropy and Free Energy Data for Nine Hydrocarbons of High Molecular Weight, J. Am. Chem. Soc., 1949, 71, 10, 3386, https://doi.org/10.1021/ja01178a034 . [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]

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]

Svoboda, Charvátová, et al., 1981
Svoboda, Václav; Charvátová, Vladimíra; Majer, Vladimír; Pick, Jirí, Determination of heats of vaporization and some other thermodynamic quantities for four alkylcycloparaffins, Collect. Czech. Chem. Commun., 1981, 46, 12, 2983-2988, https://doi.org/10.1135/cccc19812983 . [all data]

Mandanici, Cutroni, et al., 2006
Mandanici, Andrea; Cutroni, Maria; Triolo, Alessandro; Rodriguez-Mora, Virginia; Ramos, Miguel A., Thermodynamic study of alkyl-cyclohexanes in liquid, glassy, and crystalline states, J. Chem. Phys., 2006, 125, 5, 054514, https://doi.org/10.1063/1.2238863 . [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]

Rogers and McLafferty, 1971
Rogers, D.W.; McLafferty, F.J., A new hydrogen calorimeter. Heats of hydrogenation of allyl and vinyl unsaturation adjacent to a ring, Tetrahedron, 1971, 27, 3765-3775. [all data]

Turner and Garner, 1958
Turner, R.B.; Garner, R.H., Heats of hydrogenation. V. Relative stabilities in certain exocyclic-endocyclic olefin pairs, J. Am. Chem. Soc., 1958, 80, 1424-1430. [all data]

Turner and Garner, 1957
Turner, R.B.; Garner, R.H., Heats of hydrogenation. V. Relative stabilities in certain exocyclic-endocyclic olefin pairs, J. Am. Chem. Soc., 1957, 80, 1424-1430. [all data]

Dolliver, Gresham, et al., 1937
Dolliver, M.a.; Gresham, T.L.; Kistiakowsky, G.B.; Vaughan, W.E., Heats of organic reactions. V. Heats of hydrogenation of various hydrocarbons, J. Am. Chem. Soc., 1937, 59, 831-841. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), References