- Formula: C5H8O2
- Molecular weight: 100.1158
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: YRKCREAYFQTBPV-UHFFFAOYSA-N
- CAS Registry Number: 123-54-6
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: 2,4-Pentanedione; Acetoacetone; Diacetylmethane; Pentane-2,4-dione; 2-Propanone, acetyl-; 2,4-Dioxopentane; 2,4-Pentadione; CH3COCH2COCH3; Acetone, acetyl-; ACAC; Pentanedione; Pentanedione-2,4; Acetyl 2-propanone; UN 2310; 2,4-Pentandione; Pentan-2,4-dione; NSC 5575
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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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
|fH°gas||-384.4 ± 1.3||kJ/mol||Ccb||Hacking and Pilcher, 1979||Heat of enolization=-11.3±0.4 kJ/mol|
|fH°gas||-420.1||kJ/mol||Ion||Conrath, Van de Sande, et al., 1974||Mass spectrometery (enol)|
|fH°gas||-376.1 ± 2.0||kJ/mol||Cm||Melia and Merrifield, 1969||Thermochemical cycle|
Go To: Top, Gas phase thermochemistry data, Notes
Hacking and Pilcher, 1979
Hacking, J.M.; Pilcher, G., Enthalpy of combustion of pentane-2,4-dione, J. Chem. Thermodyn., 1979, 11, 1015-1017. [all data]
Conrath, Van de Sande, et al., 1974
Conrath, k.; Van de Sande, C.; Vandewalle, M., Studies in organic mass spectrometry. XVI. A combined approach to the structures of ions generated from the molecular ions of acyclic «beta»-diketones through loss of small neutral molecules, Org. Mass Spectrom., 1974, 9, 585-593. [all data]
Melia and Merrifield, 1969
Melia, T.P.; Merrifield, R., Thermal properties of acetylacetone, J. Appl. Chem., 1969, 19, 79-82. [all data]
Go To: Top, Gas phase thermochemistry data, References
- Symbols used in this document:
fH°gas Enthalpy of formation of gas at standard conditions
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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