Bicyclo[2.2.2]oct-2-ene
- Formula: C8H12
- Molecular weight: 108.1809
- IUPAC Standard InChI: InChI=1S/C8H12/c1-2-8-5-3-7(1)4-6-8/h1-2,7-8H,3-6H2
- IUPAC Standard InChIKey: VIQRCOQXIHFJND-UHFFFAOYSA-N
- CAS Registry Number: 931-64-6
- 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: Bicyclo[2.2.2]octene; Cyclohexene, 3,6-endo-(1,2-ethanediyl)-; 3,6-Endoethylenecyclohexene; 2,2,2-Bicyclooctene-2; Bicyclo[2.2.2]-2-octene; Bicyclo[2,2,2]-2-octene
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Condensed 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
DH - Eugene S. Domalski and Elizabeth D. Hearing
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°solid | -5.6 ± 0.16 | kcal/mol | Ccr | Wong and Westrum, 1971 | See Westrum and Wong, 1967; ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -1156.72 ± 0.16 | kcal/mol | Ccr | Wong and Westrum, 1971 | See Westrum and Wong, 1967; Corresponding ΔfHºsolid = -5.58 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°solid,1 bar | 50.301 | cal/mol*K | N/A | Wong and Westrum, 1970 | crystaline, I phase; DH |
Constant pressure heat capacity of solid
| Cp,solid (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 37.459 | 298.15 | Wong and Westrum, 1970 | crystaline, I phase; T = 5 to 500 K.; DH |
References
Go To: Top, Condensed 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]
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]
Wong and Westrum, 1970
Wong, W-K.; Westrum, E.F., Jr.,
Thermodynamics of globular molecules. XVII. Heat capacities and transition behavior of bicyclo[2.2.2]octane and bicyclo[2.2.2]octene,
J. Phys. Chem., 1970, 74, 1303-1308. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, References
- Symbols used in this document:
Cp,solid Constant pressure heat capacity of solid S°solid,1 bar Entropy of solid at standard conditions (1 bar) ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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