Cycloheptene
- Formula: C7H12
- Molecular weight: 96.1702
- IUPAC Standard InChI: InChI=1S/C7H12/c1-2-4-6-7-5-3-1/h1-2H,3-7H2
- IUPAC Standard InChIKey: ZXIJMRYMVAMXQP-UHFFFAOYSA-N
- CAS Registry Number: 628-92-2
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Species with the same structure:
- Other names: (Z)-Cycloheptene; UN 2242; Cycloheptene(Z)
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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 (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 8.411 | 50. | Dorofeeva O.V., 1986 | Thermodynamic functions calculated by molecular mechanics method [ Lenz T.G., 1990] are lower than those selected here by 3.0-8.2 J/mol*K for S(T) and 2.3-5.3 J/mol*K for Cp(T). |
| 11.33 | 100. | ||
| 15.26 | 150. | ||
| 19.67 | 200. | ||
| 26.989 | 273.15 | ||
| 29.7 ± 1.1 | 298.15 | ||
| 29.852 | 300. | ||
| 40.457 | 400. | ||
| 49.912 | 500. | ||
| 57.863 | 600. | ||
| 64.508 | 700. | ||
| 70.108 | 800. | ||
| 74.859 | 900. | ||
| 78.913 | 1000. | ||
| 82.383 | 1100. | ||
| 85.359 | 1200. | ||
| 87.921 | 1300. | ||
| 90.131 | 1400. | ||
| 92.043 | 1500. |
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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., 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]
Notes
Go To: Top, Gas phase thermochemistry data, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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