2,2-Dimethylheptane-3,5-dione
- Formula: C9H16O2
- Molecular weight: 156.2221
- IUPAC Standard InChIKey: LHQYNVWJWUCTSS-UHFFFAOYSA-N
- CAS Registry Number: 20734-29-6
- 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. - Species with the same structure:
- Other names: 2,2-Dimethyl-3,5-heptanedione; Pivaloylpropionylmethane; 6,6-Dimethyl-3,5-heptanedione
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Gas 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°gas | -112.5 ± 0.55 | kcal/mol | Ccb | Ferrao and Ribeiro Da Silva, 1981 | For enol form(93.4%) |
Condensed phase thermochemistry data
Go To: Top, Gas 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 |
---|---|---|---|---|---|
ΔfH°liquid | -126.0 ± 0.53 | kcal/mol | Ccb | Ferrao and Ribeiro Da Silva, 1981 | |
ΔfH°liquid | -126.1 ± 0.55 | kcal/mol | Ccb | Ferrao and Ribeiro Da Silva, 1981 | For enol form(93.4%) |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -1267.0 ± 0.43 | kcal/mol | Ccb | Ferrao and Ribeiro Da Silva, 1981 | Corresponding ΔfHºliquid = -126.0 kcal/mol (simple calculation by NIST; no Washburn corrections) |
References
Go To: Top, Gas phase thermochemistry data, 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.
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]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, References
- Symbols used in this document:
ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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