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1,4-Cyclohexadiene

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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:
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
Deltafgas100.4 ± 3.1kJ/molCcbLuk'yanova, Timofeeva, et al., 1991ALS
Deltafgas109.kJ/molChydRoth, Adamczak, et al., 1991ALS
Deltafgas104.75 ± 0.59kJ/molCcrSteele, Chirico, et al., 1989ALS

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
37.2250.Dorofeeva O.V., 1986GT
42.62100.
51.15150.
63.25200.
85.70273.15
94.1 ± 3.0298.15
94.68300.
127.75400.
156.82500.
180.97600.
200.94700.
217.63800.
231.71900.
243.671000.
253.871100.
262.611200.
270.111300.
276.581400.
282.181500.

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
Deltafliquid66.1 ± 3.1kJ/molCcbLuk'yanova, Timofeeva, et al., 1991ALS
Deltafliquid69.70 ± 0.58kJ/molCcrSteele, Chirico, et al., 1989ALS
Quantity Value Units Method Reference Comment
Deltacliquid-3570.5 ± 3.0kJ/molCcbLuk'yanova, Timofeeva, et al., 1991Corresponding «DELTA»fliquid = 66.1 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-3574.08 ± 0.48kJ/molCcrSteele, Chirico, et al., 1989Corresponding «DELTA»fliquid = 69.70 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid189.37J/mol*KN/AGeipel and Wolf, 1976DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
142.2298.15Steele, Chirico, et al., 1989DH
145.94298.15Geipel and Wolf, 1976T = 10 to 300 K.; DH

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

2Hydrogen + 1,4-Cyclohexadiene = Cyclohexane

By formula: 2H2 + C6H8 = C6H12

Quantity Value Units Method Reference Comment
Deltar-233.kJ/molChydRoth, Adamczak, et al., 1991liquid phase
Deltar-225.5 ± 1.4kJ/molChydTurner, Mallon, et al., 1973liquid phase; solvent: Glacial acetic acid

1,3-Cyclohexadiene = 1,4-Cyclohexadiene

By formula: C6H8 = C6H8

Quantity Value Units Method Reference Comment
Deltar-1.6 ± 0.8kJ/molEqkTaskinen and Nummelin, 1986liquid phase; solvent: (CH3)2SO; GLC

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.

Luk'yanova, Timofeeva, et al., 1991
Luk'yanova, V.A.; Timofeeva, L.P.; Kozina, M.P.; Kirin, V.N.; Tarakanova, A.V., Enthalpies of formation of certain unsaturated cyclic hydrocarbons, Russ. J. Phys. Chem. (Engl. Transl.), 1991, 65, 439-441. [all data]

Roth, Adamczak, et al., 1991
Roth, W.R.; Adamczak, O.; Breuckmann, R.; Lennartz, H.-W.; Boese, R., Die Berechnung von Resonanzenergien; das MM2ERW-Kraftfeld, Chem. Ber., 1991, 124, 2499-2521. [all data]

Steele, Chirico, et al., 1989
Steele, W.V.; Chirico, R.D.; Nguyen, A.; Hossenlopp, I.A.; Smith, N.K., Determination of some pure compound ideal-gas enthalpies of formation, AIChE Symp. Ser., 1989, 85, 140-162. [all data]

Dorofeeva O.V., 1986
Dorofeeva O.V., Thermodynamic properties of twenty-one monocyclic hydrocarbons, J. Phys. Chem. Ref. Data, 1986, 15, 437-464. [all data]

Geipel and Wolf, 1976
Geipel, G.; Wolf, G., Die molare Wärmekapazität von Cyclohexadien(1,4) und Cyclohexadien(1,3) im Temperaturegebiet von 10...300K, Z. Phys. Chem., 1976, 257, 587-593. [all data]

Turner, Mallon, et al., 1973
Turner, R.B.; Mallon, B.J.; Tichy, M.; Doering, W.v.E.; Roth, W.R.; Schroder, G., Heats of hydrogenation. X. Conjugative interaction in cyclic dienes and trienes, J. Am. Chem. Soc., 1973, 95, 8605-8610. [all data]

Taskinen and Nummelin, 1986
Taskinen, E.; Nummelin, K., Thermodynamics of vinyl ethers. 31. Isomer equilibria in some six- and seven-membered cyclic dienes, J. Org. Chem., 1986, 50, 4844-4847. [all data]


Notes

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