2-Butene-1,4-dione, 1,4-diphenyl-
- Formula: C16H12O2
- Molecular weight: 236.2653
- IUPAC Standard InChI: InChI=1S/C16H12O2/c17-15(13-7-3-1-4-8-13)11-12-16(18)14-9-5-2-6-10-14/h1-12H
- IUPAC Standard InChIKey: WYCXGQSQHAXLPK-UHFFFAOYSA-N
- CAS Registry Number: 4070-75-1
- 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. - Stereoisomers:
- Other names: Ethylene, 1,2-dibenzoyl-; Dibenzoylethylene; 1,2-Dibenzoylethylene; 1,4-Diphenyl-2-butene-1,4-dione; USAF nd-57; 1,2-Dibenzoylethene; 1,4-diphenylbut-2-ene-1,4-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 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 | -27.41 ± 0.57 | kcal/mol | Ccb | Parks, Manchester, et al., 1954 | Reanalyzed by Cox and Pilcher, 1970, Original value = -27.55 ± 0.60 kcal/mol; ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -1887.30 ± 0.56 | kcal/mol | Ccb | Parks, Manchester, et al., 1954 | Reanalyzed by Cox and Pilcher, 1970, Original value = -1887.18 kcal/mol; Corresponding ΔfHºsolid = -27.41 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°solid,1 bar | 76.29 | cal/mol*K | N/A | Parks and Huffman, 1930 | Extrapolation below 90 K, 104.1 J/mol*K.; DH |
Constant pressure heat capacity of solid
| Cp,solid (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 68.50 | 291.9 | Parks and Huffman, 1930 | T = 89 to 292 K. Value is unsmoothed experimental datum.; 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.
Parks, Manchester, et al., 1954
Parks, G.S.; Manchester, K.E.; Vaughan, L.M.,
Heats of combustion and formation of some alcohols, phenols, and ketones,
J. Chem. Phys., 1954, 22, 2089-2090. [all data]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]
Parks and Huffman, 1930
Parks, G.S.; Huffman, H.M.,
Thermal data on organic compounds. IX. A study of the effect of unsaturation on the heat capacities, entropies and free energies of some hydrocarbons and other compounds,
J. Am. Chem. Soc., 1930, 52, 4381-4391. [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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