3-Penten-2-one, 4-methyl-
- Formula: C6H10O
- Molecular weight: 98.1430
- IUPAC Standard InChI: InChI=1S/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3
- IUPAC Standard InChIKey: SHOJXDKTYKFBRD-UHFFFAOYSA-N
- CAS Registry Number: 141-79-7
- 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: Acetone, isopropylidene-; Isobutenyl methyl ketone; Isopropylideneacetone; Mesityl oxide; Methyl isobutenyl ketone; Methyl 2-methyl-1-propenyl ketone; 4-Methyl-3-penten-2-one; (CH3)2C=CHC(=O)CH3; Methyl 2,2-dimethylvinyl ketone; 4-Methyl-3-pentene-2-one; 2-Methylpent-2-en-4-one; 2-Methyl-2-penten-4-one; Mesityloxid; Mesityloxyde; MIBK; Ossido di mesitile; Oxyde de mesityle; 3-Isohexen-2-one; 4-Methyl-3-penten-2-on; 4-Methylpent-3-en-2-one; 4-Metil-3-penten-2-one; 2-Methyl-2-pentenone-4; UN 1229; 2-Methyl-4-oxo-2-pentene; 2,2-Dimethylvinyl methyl ketone; NSC 38717; 4-methyl-3-penten-2-one (mesityl oxide)
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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 | -220.98 ± 0.58 | kJ/mol | Ccb | Steele, Chirico, et al., 1997 | |
| ΔfH°liquid | -219. ± 0.8 | kJ/mol | Ccb | Lebedeva, Gutner, et al., 1976 | |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -3569.23 ± 0.48 | kJ/mol | Ccb | Steele, Chirico, et al., 1997 | Corresponding ΔfHºliquid = -220.98 kJ/mol (simple calculation by NIST; no Washburn corrections) |
| ΔcH°liquid | -3571. ± 0.8 | kJ/mol | Ccb | Lebedeva, Gutner, et al., 1976 | Corresponding ΔfHºliquid = -219. kJ/mol (simple calculation by NIST; no Washburn corrections) |
| ΔcH°liquid | -3540. | kJ/mol | Ccb | Guinchant, 1918 | Corresponding ΔfHºliquid = -250. kJ/mol (simple calculation by NIST; no Washburn corrections) |
| ΔcH°liquid | -3549. | kJ/mol | Ccb | Roth-Greifswald, 1911 | Heat of combustion corrected for pressure; Corresponding ΔfHºliquid = -241. kJ/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.
Steele, Chirico, et al., 1997
Steele, W.V.; Chirico, R.D.; Cowell, A.B.; Knipmeyer, S.E.; Nguyen, A.,
Thermodynamic properties and ideal-gas enthalpies of formation for 2-aminoisobutyric acid (2-methylalanine), acetic acid, (4-methyl-3-penten-2-one), 4-methylpent-1-ene, 2,2'-bis(phenylthio)propane, and glycidyl phenyl ether (1,2-epoxy-3-phenoxypropane),
J. Chem. Eng. Data, 1997, 42, 1052-1066. [all data]
Lebedeva, Gutner, et al., 1976
Lebedeva, N.D.; Gutner, N.M.; Kiseleva, N.N.,
Correlation of the departures from additivity in the enthalpies of formation of ethylene and benzene derivatives with the σp constants,
J. Org. Chem. USSR (Engl. Transl.), 1976, 12, 1594-1597. [all data]
Guinchant, 1918
Guinchant, M.J.,
Etude sur la fonction acide dans les derives metheniques et methiniques,
Ann. Chem., 1918, 10, 30-84. [all data]
Roth-Greifswald, 1911
Roth-Greifswald, W.A.,
XVIII. Hauptversammlung der Deutschen Bunsen-Gesellschaft fur angewandte physikalische Chemie,
Z. Electrochem., 1911, 17, 789-840. [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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