- Formula: C7H10
- Molecular weight: 94.1543
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: GWYPDXLJACEENP-UHFFFAOYSA-N
- CAS Registry Number: 4054-38-0
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: Cyclohepta-1,3-diene
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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 by: Glushko Thermocenter, Russian Academy of Sciences, Moscow
Constant pressure heat capacity of gas
|Cp,gas (J/mol*K)||Temperature (K)||Reference||Comment|
|37.10||50.||Dorofeeva O.V., 1986||Recommended values of S(T) and Cp(T) agree with those calculated by molecular mechanics method [ Lenz T.G., 1989] within 2-3 J/mol*K.|
|117.7 ± 7.0||298.15|
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, References, Notes
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.
2 + =
By formula: 2H2 + C7H10 = C7H14
|rH°||-208.9 ± 0.3||kJ/mol||Chyd||Turner, Mallon, et al., 1973||liquid phase; solvent: Glacial acetic acid|
|rH°||-212.4 ± 0.63||kJ/mol||Chyd||Conn, Kistiakowsky, et al., 1939||gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -214.5 ± 0.2 kJ/mol; At 355 K|
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Notes
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]
Lenz T.G., 1989
Lenz T.G., Force-field calculations giving accurate conformation, Hf(T), S(T), and Cp(T) for unsaturated acyclic and cyclic hydrocarbons, J. Phys. Chem., 1989, 93, 1588-1592. [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]
Conn, Kistiakowsky, et al., 1939
Conn, J.B.; Kistiakowsky, G.B.; Smith, E.A., Heats of organic reactions. VIII. Some further hydrogenations, including those of some acetylenes, J. Am. Chem. Soc., 1939, 61, 1868-1876. [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]
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas rH° Enthalpy of reaction at standard conditions
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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