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Cycloheptanone

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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
Deltafgas-248. ± 1.3kJ/molCcbWolf, 1972ALS
Deltafgas-247. ± 2.kJ/molCcbSkuratov and Shtekher, 1958Heat of formation derived by Cox and Pilcher, 1970; ALS

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
46.8550.Thermodynamics Research Center, 1997p=1 bar.; GT
57.50100.
74.03150.
93.15200.
125.80273.15
137.78298.15
138.68300.
186.14400.
228.00500.
262.84600.
291.71700.
315.87800.
336.27900.
353.601000.
368.41100.
381.11200.
392.01300.
401.31400.
409.41500.

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
Deltafliquid-297.6 ± 1.1kJ/molCcbWolf, 1972 
Deltafliquid-299. ± 1.kJ/molCcbSkuratov and Shtekher, 1958Heat of formation derived by Cox and Pilcher, 1970
Quantity Value Units Method Reference Comment
Deltacliquid-4172.0 ± 1.0kJ/molCcbWolf, 1972Corresponding «DELTA»fliquid = -297.57 kJ/mol (simple calculation by NIST; no Washburn corrections)
Deltacliquid-4172.kJ/molCcbSkuratov, Kozina, et al., 1958Corresponding «DELTA»fliquid = -297. kJ/mol (simple calculation by NIST; no Washburn corrections)
Deltacliquid-4170.2 ± 1.3kJ/molCcbSkuratov and Shtekher, 1958Reanalyzed by Cox and Pilcher, 1970, Original value = -4153. ± 0.1 kJ/mol; Corresponding «DELTA»fliquid = -299.4 kJ/mol (simple calculation by NIST; no Washburn corrections)
Deltacliquid-4203.2kJ/molCcbZubova, 1901Corresponding «DELTA»fliquid = -266. kJ/mol (simple calculation by NIST; no Washburn corrections)

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 as indicated in comments:
B - John E. Bartmess
ALS - 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

C7H11O- + Hydrogen cation = Cycloheptanone

By formula: C7H11O- + H+ = C7H12O

Quantity Value Units Method Reference Comment
Deltar1537. ± 9.2kJ/molD-EAZimmerman, Jackson, et al., 1978gas phase; B
Quantity Value Units Method Reference Comment
Deltar1506. ± 10.kJ/molH-TSZimmerman, Jackson, et al., 1978gas phase; B

Hydrogen + Cycloheptanone = Cycloheptanol

By formula: H2 + C7H12O = C7H14O

Quantity Value Units Method Reference Comment
Deltar-62.5 ± 0.4kJ/molChydWiberg, Crocker, et al., 1991liquid phase; ALS
Deltar-46. ± 1.kJ/molChydWiberg, Crocker, et al., 1991gas phase; ALS

3Hydrogen + 2,4,6-Cycloheptatrien-1-one = Cycloheptanone

By formula: 3H2 + C7H6O = C7H12O

Quantity Value Units Method Reference Comment
Deltar-282.8 ± 1.3kJ/molChydTurner, Meador, et al., 1957liquid phase; solvent: Acetic acid; ALS

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.

Wolf, 1972
Wolf, G., Thermochemische Untersuchungen an cyclischen Ketonen, Helv. Chim. Acta, 1972, 55, 1446-1459. [all data]

Skuratov and Shtekher, 1958
Skuratov, S.M.; Shtekher, S.M., On the heat combustion of cycloheptanone, Trans. Faraday Soc., 1958, 4883. [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]

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]

Skuratov, Kozina, et al., 1958
Skuratov, S.M.; Kozina, M.P.; Shtocher, S.M.; Prevalova, N.M.; Kamkina, L.S.; Zuko, V.D., Heats of combustion of cyclic compounds, Bull. Chem. Thermodyn., 1958, 1, 21. [all data]

Zubova, 1901
Zubova, P., Data about heat of combustion of compound cycle structure, Zh. Fiz. Khim., 1901, 33, 708-722. [all data]

Zimmerman, Jackson, et al., 1978
Zimmerman, A.H.; Jackson, R.L.; Janousek, B.K.; Brauman, J.J., Electron photodetachment from cyclic enolate anions in the gas phase: Electron affinities of cyclic enolate radicals, J. Am. Chem. Soc., 1978, 100, 4674. [all data]

Wiberg, Crocker, et al., 1991
Wiberg, K.B.; Crocker, L.S.; Morgan, K.M., Thermochemical studies of carbonyl compounds. 5. Enthalpies of reduction of carbonyl groups, J. Am. Chem. Soc., 1991, 113, 3447-3450. [all data]

Turner, Meador, et al., 1957
Turner, R.B.; Meador, W.R.; Doering, W.E.; Knox, L.H.; Mayer, J.R.; Wiley, D.W., Heats of hydrogenation. III. Hydrogenation of cycllooctatetraene and of some seven-membered non-benzenoid aromatic compounds, J. Am. Chem. Soc., 1957, 79, 4127-4133. [all data]


Notes

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