3-Cyclobutene-1,2-dione, 3-phenyl-
- Formula: C10H6O2
- Molecular weight: 158.1534
- IUPAC Standard InChI: InChI=1S/C10H6O2/c11-9-6-8(10(9)12)7-4-2-1-3-5-7/h1-6H
- IUPAC Standard InChIKey: KLGVPAWHYZDGCX-UHFFFAOYSA-N
- CAS Registry Number: 3947-97-5
- 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: Cyclobutenedione, phenyl-; Phenylcyclobutenedione; 3-phenyl-3-cyclobutene-1,2-dione
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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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°solid | -84.18 | kJ/mol | Ccb | Krall and Roberts, 1958 | |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -4708.46 ± 0.71 | kJ/mol | Ccb | Smutny, Caserio, et al., 1960 | Unpublished result of R. E. Krall; Corresponding ΔfHºsolid = -84.14 kJ/mol (simple calculation by NIST; no Washburn corrections) |
| ΔcH°solid | -4708.46 ± 0.71 | kJ/mol | Ccb | Krall and Roberts, 1958 | Corresponding ΔfHºsolid = -84.14 kJ/mol (simple calculation by NIST; no Washburn corrections) |
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.
Krall and Roberts, 1958
Krall, R.E.; Roberts, J.D.,
Strain variation in the unsaturated cyclobutane ring,
Am. Chem. Soc. Div. Pet. Chem., 1958, 3, 63-68. [all data]
Smutny, Caserio, et al., 1960
Smutny, E.J.; Caserio, M.C.; Roberts, J.D.,
Small-ring compounds. XXV. Phenylcyclobutadienoquinone and related compounds,
J. Am. Chem. Soc., 1960, 82, 1793-1801. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, References
- Symbols used in this document:
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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