Methyl vinyl ketone
- Formula: C4H6O
- Molecular weight: 70.0898
- IUPAC Standard InChI: InChI=1S/C4H6O/c1-3-4(2)5/h3H,1H2,2H3
- IUPAC Standard InChIKey: FUSUHKVFWTUUBE-UHFFFAOYSA-N
- CAS Registry Number: 78-94-4
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: 3-Buten-2-one; Vinyl methyl ketone; 1-Buten-3-one; 2-Butenone; 3-Butene-2-one; CH2=CHCOCH3; Acetone, methylene-; Butenone; Ketone, methyl vinyl; Methyl ethenyl ketone; Methyl-vinyl-cetone; Methylvinylketon; Acetyl ethylene; Methylene acetone; γ-Oxo-α-butylene; UN 1251; 3-Oxobutene; 3-Butenen-2-one; But-3-en-2-one; 3-Oxo-1-butene; NSC 4853
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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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -27.4 ± 2.6 | kcal/mol | Eqk | Guthrie, 1978 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas | 76.563 | cal/mol*K | N/A | Kharitonov Yu.Ya., 1987 | This value was calculated by statistical mechanical method. Statistically calculated thermodynamic functions of [ Anjaneyulu Y., 1988] (S(300 K)=301.65 and Cp(300 K)=79.23 J/mol*K) seem to be erroneous. Values of S(298.15 K)=316.5 and Cp(298.15 K)=92.2 J/mol*K were calculated from data for related aldehydes and ketones by difference method [ Dorofeeva O.V., 1997].; GT |
References
Go To: Top, Gas phase thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Guthrie, 1978
Guthrie, J.P.,
Equilibrium constants for a series of simple aldol condensations, and linear free energy relations with other carbonyl addition reactions,
Can. J. Chem., 1978, 56, 962-973. [all data]
Kharitonov Yu.Ya., 1987
Kharitonov Yu.Ya.,
Thermodynamic properties of methylvinylketone calculated by statistical mechanics. Deposited at ONIITEkhim, Cherkassy, Ukraine, 16.04.87, No. 417-xn 87 (From Ref. Zh. Khim. 1987, 15 B3025DP), 1987. [all data]
Anjaneyulu Y., 1988
Anjaneyulu Y.,
Thermodynamic functions of some acryl derivatives,
J. Indian Chem. Soc., 1988, 65, 400-403. [all data]
Dorofeeva O.V., 1997
Dorofeeva O.V.,
Unpublished results. Thermocenter of Russian Academy of Science, Moscow, 1997. [all data]
Notes
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- Symbols used in this document:
S°gas Entropy of gas at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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