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Cyclohexene, 4-ethenyl-

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change 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:
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
Deltafgas16.62 ± 0.35kcal/molCcbKozina, Timofeeva, et al., 1972ALS

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
34.085298.15Lenz T.G., 1990These values calculated by molecular mechanics method are in good agreement with estimation by a group additivity approach [ Dorofeeva O.V., 1997].; GT
34.285300.
44.577400.
53.791500.
61.926600.
68.987700.
74.969800.
79.873900.
83.7021000.

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafliquid7.11 ± 0.32kcal/molCcbKozina, Timofeeva, et al., 1972 
Quantity Value Units Method Reference Comment
Deltacliquid-1168.7kcal/molCcrRauh, Geyer, et al., 1973Corresponding «DELTA»fliquid = 6.4 kcal/mol (simple calculation by NIST; no Washburn corrections)
Deltacliquid-1169.42 ± 0.30kcal/molCcbKozina, Timofeeva, et al., 1972Corresponding «DELTA»fliquid = 7.12 kcal/mol (simple calculation by NIST; no Washburn corrections)

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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil399.7KN/AAldrich Chemical Company Inc., 1990BS
Tboil402.2KN/AMajer and Svoboda, 1985 
Tboil403.2KN/ALebedev and Skawronskaja, 1911Uncertainty assigned by TRC = 2. K; TRC
Quantity Value Units Method Reference Comment
Deltavap9.467kcal/molN/AMajer and Svoboda, 1985 
Deltavap9.15kcal/molVRauh, Geyer, et al., 1973ALS
Deltavap9.51kcal/molN/AKozina, Timofeeva, et al., 1972DRB

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
8.01402.2N/AMajer and Svoboda, 1985 
9.58307.AStephenson and Malanowski, 1987Based on data from 292. - 405. K.; AC

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:


IR Spectrum

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

Data compiled by: Coblentz Society, Inc.

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


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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 Japan AIST/NIMC Database- Spectrum MS-NW-1051
NIST MS number 227540

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References

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

Kozina, Timofeeva, et al., 1972
Kozina, M.P.; Timofeeva, L.P.; Pimenova, S.M.; Aleshina, V.A.; Belikova, N.A.; Bobyleva, A.A.; Plate, A.F., Enthalpies of combustion and of formation of 4-vinylcyclohexene and of certain bicyclic compounds, Russ. J. Phys. Chem. (Engl. Transl.), 1972, 46, 1689-1690. [all data]

Lenz T.G., 1990
Lenz T.G., Force field calculation of equilibrium thermodynamic properties: Diels-Alder reaction of 1,3-butadiene and ethylene and Diels-Alder dimerization of 1,3-butadiene, J. Comput. Chem., 1990, 11, 351-360. [all data]

Dorofeeva O.V., 1997
Dorofeeva O.V., Unpublished results. Thermocenter of Russian Academy of Science, Moscow, 1997. [all data]

Rauh, Geyer, et al., 1973
Rauh, H.J.; Geyer, W.; Schmidt, H.; Geiseler, G., Bildungsenthalpien und mesomerieenergien von «pi»-bindungssystemen, Z. Phys. Chem. (Leipzig), 1973, 253, 43-48. [all data]

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [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]

Lebedev and Skawronskaja, 1911
Lebedev, S.; Skawronskaja, F., Zh. Russ. Fiz.-Khim. O-va., Chast Khim., 1911, 43, 1136. [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]


Notes

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