1,5-Cyclooctadiene

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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
Δfgas13.7 ± 0.7kcal/molCcbLebedev, Tsvetkova, et al., 1975Heat of formtion values corrected; Author's hf298_liquid=7.6±0.7 kcal/mol; ALS

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
9.04950.Dorofeeva O.V., 1986The value of S(298.15 K) calculated by molecular mechanics method [ Ermer O., 1976] is about 2 J/mol*K lower than that selected here.; GT
12.76100.
17.08150.
21.94200.
30.096273.15
33.1 ± 1.4298.15
33.277300.
44.935400.
55.198500.
63.714600.
70.722700.
76.530800.
81.386900.
85.4801000.
88.9481100.
91.9051200.
94.4341300.
96.6061400.
98.4801500.

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
Δfliquid5.8 ± 0.7kcal/molCcbLebedev, Tsvetkova, et al., 1975Heat of formtion values corrected; Author's hf298_liquid=7.6±0.7 kcal/mol; ALS
Quantity Value Units Method Reference Comment
Δcliquid-1168.1 ± 0.7kcal/molCcbLebedev, Tsvetkova, et al., 1975Heat of formtion values corrected; Author's hf298_liquid=7.6±0.7 kcal/mol; Corresponding Δfliquid = 5.8 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid59.75cal/mol*KN/ALebedev, Lebedev, et al., 1975DH
liquid63.17cal/mol*KN/ALebedev, Tsvetkova, et al., 1975, 2DH

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
47.54298.15Lebedev, Lebedev, et al., 1975T = 6 to 320 K.; DH
49.74298.15Lebedev, Tsvetkova, et al., 1975, 2T = 10.6 to 322.7 K. Data deposited in VINITI, No. 1324-75, 15 May 1975.; DH

Mass spectrum (electron ionization)

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

Spectrum

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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 Japan AIST/NIMC Database- Spectrum MS-NW- 886
NIST MS number 228933

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References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, 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.

Lebedev, Tsvetkova, et al., 1975
Lebedev, B.V.; Tsvetkova, L.Ya.; Kiparisova, E.G.; Lebedev, N.K., Thermodynamic properties of cyclo-octa-1,5-diene, Russ. J. Phys. Chem. (Engl. Transl.), 1975, 49, 1265. [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]

Ermer O., 1976
Ermer O., Conformational interconversions of cis,cis-cyclooctadiene-1,5, J. Am. Chem. Soc., 1976, 98, 3964-3970. [all data]

Lebedev, Lebedev, et al., 1975
Lebedev, B.V.; Lebedev, N.K.; Kiparisova, Y.G.; Tsvetkova, L.Ya.; Rabinovich, I.B., Thermodynamics of methylenecyclobutane and 1,5-cyclooctadiene, Quatrieme Conference International de Thermodynamique Chimique, 1975, II, Thermophysique (capacites thermiques) pp. [all data]

Lebedev, Tsvetkova, et al., 1975, 2
Lebedev, B.V.; Tsvetkova, L.Ya.; Kiparisova, Y.G.; Lebedev, N.K., Thermodynamic properties of cycloocta-1,5-diene, Zhur. Fiz. Khim., 1975, 49, 2152. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Mass spectrum (electron ionization), References