1,5-Cyclooctadiene
- Formula: C8H12
- Molecular weight: 108.1809
- IUPAC Standard InChI: InChI=1S/C8H12/c1-2-4-6-8-7-5-3-1/h1-2,7-8H,3-6H2
- IUPAC Standard InChIKey: VYXHVRARDIDEHS-UHFFFAOYSA-N
- CAS Registry Number: 111-78-4
- 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. - Stereoisomers:
- Other names: Cycloocta-1,5-diene
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Gas phase thermochemistry data
Go To: Top, 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 |
|---|---|---|---|---|---|
| ΔfH°gas | 57. ± 3. | kJ/mol | Ccb | Lebedev, Tsvetkova, et al., 1975 | Heat of formtion values corrected; Author's hf298_liquid=7.6±0.7 kcal/mol; ALS |
Constant pressure heat capacity of gas
| Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 37.86 | 50. | Dorofeeva O.V., 1986 | The 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 |
| 53.37 | 100. | ||
| 71.48 | 150. | ||
| 91.78 | 200. | ||
| 125.92 | 273.15 | ||
| 138.3 ± 6.0 | 298.15 | ||
| 139.23 | 300. | ||
| 188.01 | 400. | ||
| 230.95 | 500. | ||
| 266.58 | 600. | ||
| 295.90 | 700. | ||
| 320.20 | 800. | ||
| 340.52 | 900. | ||
| 357.65 | 1000. | ||
| 372.16 | 1100. | ||
| 384.53 | 1200. | ||
| 395.11 | 1300. | ||
| 404.20 | 1400. | ||
| 412.04 | 1500. |
References
Go To: Top, Gas phase thermochemistry data, 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]
Notes
Go To: Top, Gas phase thermochemistry data, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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