1,3-Cyclohexadiene
- Formula: C6H8
- Molecular weight: 80.1277
- IUPAC Standard InChI: InChI=1S/C6H8/c1-2-4-6-5-3-1/h1-4H,5-6H2
- IUPAC Standard InChIKey: MGNZXYYWBUKAII-UHFFFAOYSA-N
- CAS Registry Number: 592-57-4
- 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. - Other names: Cyclohexa-1,3-diene; 1,2-Dihydrobenzene
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Condensed 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
DH - Eugene S. Domalski and Elizabeth D. Hearing
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°liquid | 71.41 ± 0.62 | kJ/mol | Ccr | Steele, Chirico, et al., 1989 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -3575.79 ± 0.54 | kJ/mol | Ccr | Steele, Chirico, et al., 1989 | Corresponding ΔfHºliquid = 71.41 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°liquid | 197.28 | J/mol*K | N/A | Geipel and Wolf, 1976 | DH |
Constant pressure heat capacity of liquid
| Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 141.3 | 298.15 | Steele, Chirico, et al., 1989 | DH |
| 144.56 | 298.15 | Geipel and Wolf, 1976 | T = 10 to 300 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.
Steele, Chirico, et al., 1989
Steele, W.V.; Chirico, R.D.; Nguyen, A.; Hossenlopp, I.A.; Smith, N.K.,
Determination of some pure compound ideal-gas enthalpies of formation,
AIChE Symp. Ser., 1989, 85, 140-162. [all data]
Geipel and Wolf, 1976
Geipel, G.; Wolf, G.,
Die molare Wärmekapazität von Cyclohexadien(1,4) und Cyclohexadien(1,3) im Temperaturegebiet von 10...300K,
Z. Phys. Chem., 1976, 257, 587-593. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid S°liquid Entropy of liquid at standard conditions ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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