5-Hexen-2-one
- Formula: C6H10O
- Molecular weight: 98.1430
- 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
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Options:
Data at NIST subscription sites:
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
Condensed phase thermochemistry data
Go To: Top, Phase change data, Gas Chromatography, 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 | -900.2 | kcal/mol | Ccb | Clopatt, 1932 | Corresponding ΔfHºliquid = -5.7 kcal/mol (simple calculation by NIST; no Washburn corrections) |
ΔcH°liquid | -857.7 | kcal/mol | Ccb | Roth-Greifswald, 1911 | Heat of combustion corrected for pressure; Corresponding ΔfHºliquid = -48.2 kcal/mol (simple calculation by NIST; no Washburn corrections) |
Phase change data
Go To: Top, Condensed phase thermochemistry data, Gas Chromatography, 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 (atm) | Reference | Comment |
---|---|---|---|
342.2 | 0.132 | Weast and Grasselli, 1989 | BS |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
10.1 ± 0.02 | 320. | EB | Steele, Chirico, et al., 2002 | Based on data from 317. to 440. K.; AC |
9.42 ± 0.05 | 360. | EB | Steele, Chirico, et al., 2002 | Based on data from 317. to 440. K.; AC |
8.75 ± 0.07 | 400. | EB | Steele, Chirico, et al., 2002 | Based on data from 317. to 440. K.; AC |
8.0 ± 0.1 | 440. | EB | Steele, Chirico, et al., 2002 | Based on data from 317. to 440. K.; AC |
8.27 | 464. | A | Stephenson and Malanowski, 1987 | Based on data from 449. to 561. K.; AC |
Gas Chromatography
Go To: Top, Condensed phase thermochemistry data, 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
Kovats' RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | Apiezon L | 120. | 737. | Bogoslovsky, Anvaer, et al., 1978 | Celite 545 |
Packed | Apiezon L | 160. | 747. | Bogoslovsky, Anvaer, et al., 1978 | Celite 545 |
Van Den Dool and Kratz RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Supelcowax-10 | 1135. | Tanchotikul and Hsieh, 1989 | 60. m/0.25 mm/0.25 μm, 40. C @ 5. min, 2. K/min, 175. C @ 20. min |
Capillary | Supelcowax-10 | 1138. | Tanchotikul and Hsieh, 1989 | 60. m/0.25 mm/0.25 μm, 40. C @ 5. min, 2. K/min, 175. C @ 20. min |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | OV-1 | 744. | Guan, Zheng, et al., 1992 | 50. m/0.32 mm/0.52 μm, H2, 1. K/min; Tstart: 30. C |
Capillary | OV-1 | 745. | Guan, Zheng, et al., 1992 | 50. m/0.32 mm/0.52 μm, H2, 2. K/min; Tstart: 35. C |
References
Go To: Top, Condensed phase thermochemistry data, 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.
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]
Bogoslovsky, Anvaer, et al., 1978
Bogoslovsky, Yu.N.; Anvaer, B.I.; Vigdergauz, M.S.,
Chromatographic constants in gas chromatography (in Russian), Standards Publ. House, Moscow, 1978, 192. [all data]
Tanchotikul and Hsieh, 1989
Tanchotikul, U.; Hsieh, T.C.-Y.,
Volatile Flavor Components in Crayfish Waste,
J. Food Sci., 1989, 54, 6, 1515-1520, https://doi.org/10.1111/j.1365-2621.1989.tb05149.x
. [all data]
Guan, Zheng, et al., 1992
Guan, Y.; Zheng, P.; Zhou, L.,
Prediction, optimization of separation, and identification of unknown compounds in capillary gas chromatography,
J. Hi. Res. Chromatogr., 1992, 15, 1, 18-23, https://doi.org/10.1002/jhrc.1240150106
. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas Chromatography, 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
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.