- Formula: C10H10O2
- Molecular weight: 162.1852
- IUPAC Standard InChI:
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- 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
- Other names: «alpha»-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, Condensed phase thermochemistry data, Reaction 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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
|fH°gas||-58.34 ± 0.69||kcal/mol||Cm||Ribeiro da Silva and Monte, 1992||ALS|
|fH°gas||-60.06 ± 0.69||kcal/mol||Ccb||Ferrao and Ribeiro Da Silva, 1981||ALS|
|fH°gas||-67.97||kcal/mol||N/A||Farrar and Jones, 1964||Value computed using «DELTA»fHliquid° value of -340±4.6 kj/mol from Farrar and Jones, 1964 and «DELTA»vapH° value of 55.6 kj/mol from missing citation.; DRB|
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, References, Notes
Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
|fH°liquid||-81.2 ± 1.1||kcal/mol||Ccb||Farrar and Jones, 1964|
|cH°liquid||-1200.9 ± 1.3||kcal/mol||Ccb||Farrar and Jones, 1964||Corresponding «DELTA»fHºliquid = -81.20 kcal/mol (simple calculation by NIST; no Washburn corrections)|
|fH°solid||-80.09 ± 0.67||kcal/mol||Ccb||Ferrao and Ribeiro Da Silva, 1981|
|cH°solid||-1202.0 ± 0.60||kcal/mol||Ccb||Ferrao and Ribeiro Da Silva, 1981||Corresponding «DELTA»fHºsolid = -80.11 kcal/mol (simple calculation by NIST; no Washburn corrections)|
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, References, Notes
Data compiled by: John E. Bartmess
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
C10H9O2- + =
By formula: C10H9O2- + H+ = C10H10O2
|rH°||339.9 ± 2.3||kcal/mol||G+TS||Cumming and Kebarle, 1978||gas phase|
|rG°||333.0 ± 2.0||kcal/mol||IMRE||Cumming and Kebarle, 1978||gas phase|
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Notes
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 «beta»-diketones, J. Phys. Chem., 1964, 68, 1717-1721. [all data]
Cumming and Kebarle, 1978
Cumming, J.B.; Kebarle, P., Summary of gas phase measurements involving acids AH. Entropy changes in proton transfer reactions involving negative ions. Bond dissociation energies D(A-H) and electron affinities EA(A), Can. J. Chem., 1978, 56, 1. [all data]
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, References
- Symbols used in this document:
cH°liquid Enthalpy of combustion of liquid at standard conditions cH°solid Enthalpy of combustion of solid at standard conditions fH°gas Enthalpy of formation of gas at standard conditions fH°liquid Enthalpy of formation of liquid at standard conditions fH°solid Enthalpy of formation of solid at standard conditions rG° Free energy of reaction at standard conditions rH° Enthalpy of reaction at standard conditions
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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