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
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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 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| ΔcH°solid | -4708.46 ± 0.71 | kJ/mol | Ccb | Smutny, Caserio, et al., 1960 | Unpublished result of R. E. Krall; Corresponding ΔfHºsolid = -84.14 kJ/mol (simple calculation by NIST; no Washburn corrections) |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) |
Phase change data
Go To: Top, Condensed phase thermochemistry data, 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 |
|---|---|---|---|---|---|
| ΔsubH° | 54.39 ± 0.42 | kJ/mol | V | Smutny, Caserio, et al., 1960 | Unpublished result of R. E. Krall |
| ΔsubH° | 54.4 | kJ/mol | E | Krall and Roberts, 1958 |
References
Go To: Top, Condensed phase thermochemistry data, Phase change 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, Phase change 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 ΔsubH° Enthalpy of sublimation at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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