5-Hexen-2-one
- Formula: C6H10O
- Molecular weight: 98.1430
- IUPAC Standard InChI: InChI=1S/C6H10O/c1-3-4-5-6(2)7/h3H,1,4-5H2,2H3
- IUPAC Standard InChIKey: RNDVGJZUHCKENF-UHFFFAOYSA-N
- CAS Registry Number: 109-49-9
- 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: Allylacetone; 1-Hexen-5-one; 5-Hexene-2-one; hex-5-en-2-one
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Condensed phase thermochemistry data
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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔcH°liquid | -3766. | kJ/mol | Ccb | Clopatt, 1932 | Corresponding ΔfHºliquid = -24. kJ/mol (simple calculation by NIST; no Washburn corrections) |
| ΔcH°liquid | -3589. | kJ/mol | Ccb | Roth-Greifswald, 1911 | Heat of combustion corrected for pressure; Corresponding ΔfHºliquid = -202. kJ/mol (simple calculation by NIST; no Washburn corrections) |
Phase change data
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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 401. | K | N/A | Farchan Laboratories, 1990 | BS |
| Tboil | 402.7 | K | N/A | Weast and Grasselli, 1989 | BS |
Reduced pressure boiling point
| Tboil (K) | Pressure (bar) | Reference | Comment |
|---|---|---|---|
| 342.2 | 0.133 | Weast and Grasselli, 1989 | BS |
Enthalpy of vaporization
| ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 42.1 ± 0.1 | 320. | EB | Steele, Chirico, et al., 2002 | Based on data from 317. to 440. K.; AC |
| 39.4 ± 0.2 | 360. | EB | Steele, Chirico, et al., 2002 | Based on data from 317. to 440. K.; AC |
| 36.6 ± 0.3 | 400. | EB | Steele, Chirico, et al., 2002 | Based on data from 317. to 440. K.; AC |
| 33.5 ± 0.6 | 440. | EB | Steele, Chirico, et al., 2002 | Based on data from 317. to 440. K.; AC |
| 34.6 | 464. | A | Stephenson and Malanowski, 1987 | Based on data from 449. to 561. K.; AC |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
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]
Farchan Laboratories, 1990
Farchan Laboratories,
Research Chemicals Catalog, Farchan Laboratories, Gainesville, FL, 1990, 91. [all data]
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
Steele, Chirico, et al., 2002
Steele, W.V.; Chirico, R.D.; Knipmeyer, S.E.; Nguyen, A.,
Measurements of Vapor Pressure, Heat Capacity, and Density along the Saturation Line for Cyclopropane Carboxylic Acid, N , N -Diethylethanolamine, 2,3-Dihydrofuran, 5-Hexen-2-one, Perfluorobutanoic Acid, and 2-Phenylpropionaldehyde,
J. Chem. Eng. Data, 2002, 47, 4, 715-724, https://doi.org/10.1021/je010087j
. [all data]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
Tboil Boiling point ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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