2,4-Pentanedione, 3-methyl-
- Formula: C6H10O2
- Molecular weight: 114.1424
- IUPAC Standard InChI: InChI=1S/C6H10O2/c1-4(5(2)7)6(3)8/h4H,1-3H3
- IUPAC Standard InChIKey: GSOHKPVFCOWKPU-UHFFFAOYSA-N
- CAS Registry Number: 815-57-6
- 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. - Other names: Methylacetylacetone; 3-Methyl-2,4-pentanedione; 3-Acetylbutan-2-one; 3-methylpentane-2,4-dione
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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 | -104.4 ± 0.45 | kcal/mol | Ccb | Ribeiro da Silva, Ferrao, et al., 1992 | |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -801.43 ± 0.41 | kcal/mol | Ccb | Ribeiro da Silva, Ferrao, et al., 1992 | Corresponding ΔfHºliquid = -104.4 kcal/mol (simple calculation by NIST; no Washburn corrections) |
Gas Chromatography
Go To: Top, Condensed 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 | 897. | Jordán, Margaría, et al., 2003 | 30. m/0.25 mm/0.25 μm; Program: 40C(6min) => 2.5C/min => 150C => 90C/min => 250C |
References
Go To: Top, Condensed phase thermochemistry data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Ribeiro da Silva, Ferrao, et al., 1992
Ribeiro da Silva, M.A.V.; Ferrao, M.L.C.C.H.; Monte, M.J.S.; Esteves da Silva, R.M.G.; Ribeiro, J.C.,
Standard enthalpies of formation of 3-methylpentane-2,4-dione and of bis(3-methylpentane-2,4-dionato)copper(II): the mean (Cu-O) bond-dissociation enthalpy,
J. Chem. Thermodyn., 1992, 24, 585-594. [all data]
Jordán, Margaría, et al., 2003
Jordán, M.J.; Margaría, C.A.; Shaw, P.E.; Goodner, K.L.,
Volatile components and aroma active compounds in aqueous essence and fresh pink guava fruid puree (Psidium guajava L.) by GC-MS and multidimensional GC/GC-O,
J. Agric. Food Chem., 2003, 51, 5, 1421-1426, https://doi.org/10.1021/jf020765l
. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Gas Chromatography, 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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