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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Phase change 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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 446.2 | K | N/A | Aldrich Chemical Company Inc., 1990 | BS |
| Tboil | 442.15 | K | N/A | Sabatier and Mailhe, 1909 | Uncertainty assigned by TRC = 3. K; TRC |
| Tboil | 442.15 | K | N/A | Sabatier and Mailhe, 1907 | Uncertainty assigned by TRC = 3. K; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔvapH° | 48.5 ± 5.0 | kJ/mol | E | Ribeiro da Silva, Ferrao, et al., 1992 | ALS |
Gas Chromatography
Go To: Top, Phase change 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, Phase change data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]
Sabatier and Mailhe, 1909
Sabatier, P.; Mailhe, A.,
New Applications of the General Method of Hydrogenation with Various Metals,
Ann. Chim. Phys., 1909, 16, 70. [all data]
Sabatier and Mailhe, 1907
Sabatier, P.; Mailhe, A.,
The Direct Hydrogenation of Methyl Diketones,
C. R. Hebd. Seances Acad. Sci., 1907, 144, 1086. [all data]
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, Phase change data, Gas Chromatography, References
- Symbols used in this document:
Tboil Boiling point ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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