3-Penten-2-one
- Formula: C5H8O
- Molecular weight: 84.1164
- IUPAC Standard InChIKey: LABTWGUMFABVFG-UHFFFAOYSA-N
- CAS Registry Number: 625-33-2
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Other names: Ethylidene acetone; Methyl propenyl ketone; Methyl 1-propenyl ketone; 2-Oxo-3-pentene; (E)-CH3CH=CHC(=O)CH3; 3-Pentene-2-one; Pent-3-en-2-one
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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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -32.6 | kcal/mol | Cm | Trifel, Smirnov, et al., 1992 |
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 |
---|---|---|---|---|---|
ΔcH°liquid | -726.9 | kcal/mol | Ccb | Clopatt, 1932 | Corresponding ΔfHºliquid = -16.6 kcal/mol (simple calculation by NIST; no Washburn corrections) |
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 by: Robert L. Brown and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 395.7 | K | N/A | Aldrich Chemical Company Inc., 1990 |
Gas phase ion energetics 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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Proton affinity (review) | 206.6 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 199.0 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
9.39 | PE | Masclet and Mouvier, 1978 | LLK |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Trifel, Smirnov, et al., 1992
Trifel, B.Yu.; Smirnov, V.V.; Gloriozov, I.P.; Kurbanov, N.I.; Mamedov, F.V.,
Mechanism of reaction between trichloroacetic acid and unsaturated ketones,
Vestn. Mosk. Univ. Ser. 2: Khim., 1992, 33, 547-550. [all data]
Clopatt, 1932
Clopatt, J.A.,
Eine neue Methode zur Bestimmung der Verbrennungswarme fluchtiger Stoffe,
Soc. Scient. Fenn. Commentat. Phys. Math., 1932, 6, 1-15. [all data]
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]
Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G.,
Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update,
J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018
. [all data]
Masclet and Mouvier, 1978
Masclet, P.; Mouvier, G.,
Etude par spectrometrie photoelectronique d'aldehydes et de cetones ethyleniques conjugues,
J. Electron Spectrosc. Relat. Phenom., 1978, 14, 77. [all data]
Notes
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- Symbols used in this document:
Tboil Boiling point ΔcH°liquid Enthalpy of combustion of liquid 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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