3,5-Heptanedione, 2,2,6,6-tetramethyl-
- Formula: C11H20O2
- Molecular weight: 184.2753
- IUPAC Standard InChI: InChI=1S/C11H20O2/c1-10(2,3)8(12)7-9(13)11(4,5)6/h7H2,1-6H3
- IUPAC Standard InChIKey: YRAJNWYBUCUFBD-UHFFFAOYSA-N
- CAS Registry Number: 1118-71-4
- 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: Dipivaloylmethane; 2,2,6,6-Tetramethyl-3,5-heptanedione; (CH3)3CCOCH2COC(CH3)3; 2,2,6,6-Tetramethylheptane-3,5-dione; 2,2,6,6-Tetramethyl heptanedione
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Condensed 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°liquid | -140.5 ± 0.91 | kcal/mol | Ccb | Ferrao and Ribeiro Da Silva, 1981 | |
| ΔfH°liquid | -140.5 ± 0.93 | kcal/mol | Ccb | Ferrao and Ribeiro Da Silva, 1981 | For enol form(98.0%) |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -1577.2 ± 0.84 | kcal/mol | Ccb | Ferrao and Ribeiro Da Silva, 1981 | Corresponding ΔfHºliquid = -140.5 kcal/mol (simple calculation by NIST; no Washburn corrections) |
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.
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, Condensed phase thermochemistry data, References
- Symbols used in this document:
ΔcH°liquid Enthalpy of combustion of liquid 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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