Bicyclo[2.2.2]octane
- Formula: C8H14
- Molecular weight: 110.1968
- IUPAC Standard InChI: InChI=1S/C8H14/c1-2-8-5-3-7(1)4-6-8/h7-8H,1-6H2
- IUPAC Standard InChIKey: GPRLTFBKWDERLU-UHFFFAOYSA-N
- CAS Registry Number: 280-33-1
- 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. - Other names: Cyclohexane, 1,4-endo-(1,2-ethanediyl)-; 1,4-Endoethylenecyclohexane
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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 |
|---|---|---|---|---|---|
| ΔfH°gas | -99.04 ± 0.96 | kJ/mol | Ccr | Wong and Westrum, 1971 | see also Boyd, Sanwal, et al., 1971, See Westrum and Wong, 1967; ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas | 324.7 ± 2.5 | J/mol*K | N/A | Boyd R.H., 1971 | GT |
Constant pressure heat capacity of gas
| Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 81.92 | 200. | Boyd R.H., 1971 | Selected values were obtained by force field calculation. One can expect the uncertainty in S(500 K) and Cp(T) values to be about 10 J/mol*K if compare with the authors' results for bicyclo[2.2.1]heptane.; GT |
| 129.62 | 298.15 | ||
| 130.58 | 300. | ||
| 183.05 | 400. | ||
| 231.25 | 500. |
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.
Wong and Westrum, 1971
Wong, S.S.; Westrum, E.F., Jr.,
Enthalpies of formation of globular molecules. II. Three bicyclooctanes and two bicyclononanes,
J. Am. Chem. Soc., 1971, 93, 5317-5321. [all data]
Boyd, Sanwal, et al., 1971
Boyd, R.H.; Sanwal, S.N.; Shary-Tehrany, S.; McNally, D.,
The thermochemistry, thermodynamic functions, and molecular structures of some cyclic hydrocarbons,
J. Phys. Chem., 1971, 75, 1264-1271. [all data]
Westrum and Wong, 1967
Westrum, E.F., Jr.; Wong, S.,
Strain energies and thermal properties of globular and polynuclear aromatic molecules,
AEC Rept. Coo-1149-92, Contract AT(11-1)-1149, 1967, 1-7. [all data]
Boyd R.H., 1971
Boyd R.H.,
The thermochemistry, thermodynamic functions, and molecular structures of some cyclic hydrocarbons,
J. Phys. Chem., 1971, 75, 1264-1271. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas S°gas Entropy of gas at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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