- Formula: C6H8
- Molecular weight: 80.1277
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: UVJHQYIOXKWHFD-UHFFFAOYSA-N
- CAS Registry Number: 628-41-1
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: 1,4-Dihydrobenzene; Cyclohexa-1,4-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
|fH°gas||100.4 ± 3.1||kJ/mol||Ccb||Luk'yanova, Timofeeva, et al., 1991||ALS|
|fH°gas||109.||kJ/mol||Chyd||Roth, Adamczak, et al., 1991||ALS|
|fH°gas||104.75 ± 0.59||kJ/mol||Ccr||Steele, Chirico, et al., 1989||ALS|
Constant pressure heat capacity of gas
|Cp,gas (J/mol*K)||Temperature (K)||Reference||Comment|
|37.22||50.||Dorofeeva O.V., 1986||GT|
|94.1 ± 3.0||298.15|
Go To: Top, Gas phase thermochemistry data, Notes
Luk'yanova, Timofeeva, et al., 1991
Luk'yanova, V.A.; Timofeeva, L.P.; Kozina, M.P.; Kirin, V.N.; Tarakanova, A.V., Enthalpies of formation of certain unsaturated cyclic hydrocarbons, Russ. J. Phys. Chem. (Engl. Transl.), 1991, 65, 439-441. [all data]
Roth, Adamczak, et al., 1991
Roth, W.R.; Adamczak, O.; Breuckmann, R.; Lennartz, H.-W.; Boese, R., Die Berechnung von Resonanzenergien; das MM2ERW-Kraftfeld, Chem. Ber., 1991, 124, 2499-2521. [all data]
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]
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]
Go To: Top, Gas phase thermochemistry data, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas fH°gas Enthalpy of formation of gas at standard conditions
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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