1,3-Butanedione, 1-phenyl-
- Formula: C10H10O2
- Molecular weight: 162.1852
- IUPAC Standard InChI: InChI=1S/C10H10O2/c1-8(11)7-10(12)9-5-3-2-4-6-9/h2-6H,7H2,1H3
- IUPAC Standard InChIKey: CVBUKMMMRLOKQR-UHFFFAOYSA-N
- CAS Registry Number: 93-91-4
- 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: α-Acetylacetophenone; Acetoacetophenone; Acetylbenzoylmethane; Benzoylacetone; 1-Benzoyl-2-propanone; 1-Phenyl-1,3-butanedione; 2-Acetylacetophenone; 2-Propanone, benzoyl-; 1-Benzoylacetone; Benzoyl-aceton; NSC 4015; 1-phenylbutane-1,3-dione
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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
DRB - Donald R. Burgess, Jr.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -244.1 ± 2.9 | kJ/mol | Cm | Ribeiro da Silva and Monte, 1992 | ALS |
| ΔfH°gas | -251.3 ± 2.9 | kJ/mol | Ccb | Ferrao and Ribeiro Da Silva, 1981 | ALS |
| ΔfH°gas | -284.4 | kJ/mol | N/A | Farrar and Jones, 1964 | Value computed using ΔfHliquid° value of -340±4.6 kj/mol from Farrar and Jones, 1964 and ΔvapH° value of 55.6 kj/mol from missing citation.; DRB |
References
Go To: Top, Gas phase thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Ribeiro da Silva and Monte, 1992
Ribeiro da Silva, M.A.V.; Monte, M.J.S.,
Vapour pressures and standard molar enthalpies of sublimation of four crystalline B-diketones,
J. Chem. Thermodyn., 1992, 24, 1219-1228. [all data]
Ferrao and Ribeiro Da Silva, 1981
Ferrao, M.L.C.C.H.; Ribeiro Da Silva, M.A.V.,
Enthalpies of combustion of four methyl-substituted heptane-3,5-diones and benzoylacetone,
J. Chem. Thermodyn., 1981, 13, 567-571. [all data]
Farrar and Jones, 1964
Farrar, D.T.; Jones, M.M.,
Heats of combustion and bond energies in some octahedral iron(III) complexes with β-diketones,
J. Phys. Chem., 1964, 68, 1717-1721. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, References
- Symbols used in this document:
ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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