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Cyclohexane, ethyl-

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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 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-41.25kcal/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-41.05 ± 0.37kcal/molCcbProsen, Johnson, et al., 1946ALS
Quantity Value Units Method Reference Comment
gas91.460cal/mol*KN/AHuffman H.M., 1949GT

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
9.78750.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
14.98100.
20.85150.
26.70200.
35.85273.15
39.17298.15
39.41300.
52.49400.
64.10500.
73.83600.
81.96700.
88.81800.
94.67900.
99.641000.
103.91100.
107.61200.
110.81300.
113.51400.
115.91500.
120.51750.
123.92000.
126.32250.
128.22500.
129.62750.
130.73000.

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
36.384298.15Colgate 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
40.717323.15
47.299373.15
52.015408.15
57.333448.15

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry 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 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-50.8kcal/molCcbBaroody and Carpenter, 1972ALS
Deltafliquid-50.72 ± 0.37kcal/molCcbProsen, Johnson, et al., 1946ALS
Quantity Value Units Method Reference Comment
Deltacliquid-1248.23 ± 0.35kcal/molCcbProsen, Johnson, et al., 1946Corresponding «DELTA»fliquid = -50.70 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid67.139cal/mol*KN/AHuffman, Todd, et al., 1949DH
liquid67.30cal/mol*KN/AParks, Moore, et al., 1949Extrapolation below 80 K, 57.74 J/mol*K.; DH

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
50.619298.15Huffman, Todd, et al., 1949T = 12 to 310 K.; DH
51.20298.15Parks, Moore, et al., 1949T = 80 to 300 K.; DH

Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry 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: 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-26.2 ± 0.3kcal/molChydRogers and McLafferty, 1971liquid phase; solvent: Hydrocarbon
Deltar-26.32 ± 0.04kcal/molChydTurner and Garner, 1958liquid phase; solvent: Acetic acid
Deltar-26.32 ± 0.04kcal/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-25.08 ± 0.13kcal/molChydTurner and Garner, 1958liquid phase; solvent: Acetic acid
Deltar-25.08 ± 0.13kcal/molChydTurner and Garner, 1957liquid phase; solvent: Acetic acid

Styrene + 4Hydrogen = Cyclohexane, ethyl-

By formula: C8H8 + 4H2 = C8H16

Quantity Value Units Method Reference Comment
Deltar-76.50 ± 0.25kcal/molChydDolliver, Gresham, et al., 1937gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -77.48 ± 0.20 kcal/mol; At 355 °K

Ethylbenzene + 3Hydrogen = Cyclohexane, ethyl-

By formula: C8H10 + 3H2 = C8H16

Quantity Value Units Method Reference Comment
Deltar-48.18 ± 0.10kcal/molChydDolliver, Gresham, et al., 1937gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -48.9 ± 0.1 kcal/mol; At 355 °K

Hydrogen + Cyclohexane, ethenyl- = Cyclohexane, ethyl-

By formula: H2 + C8H14 = C8H16

Quantity Value Units Method Reference Comment
Deltar-27.9 ± 0.8kcal/molChydRogers and McLafferty, 1971liquid phase; solvent: Hydrocarbon

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, 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]

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

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