4-Decanone
- Formula: C10H20O
- Molecular weight: 156.2652
- IUPAC Standard InChI: InChI=1S/C10H20O/c1-3-5-6-7-9-10(11)8-4-2/h3-9H2,1-2H3
- IUPAC Standard InChIKey: MKJDUHZPLQYUCB-UHFFFAOYSA-N
- CAS Registry Number: 624-16-8
- 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: Hexyl propyl ketone; Propyl hexyl ketone; n-Propyl n-hexyl ketone; decan-1-oyl chloride
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Phase change data
Go To: Top, 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
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 479.7 | K | N/A | Weast and Grasselli, 1989 | BS |
| Tboil | 479. | K | N/A | Smith, 1960 | Uncertainty assigned by TRC = 5. K; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| Tfus | 263.9 | K | N/A | Wagner, 1891 | Uncertainty assigned by TRC = 4. K; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| Tc | 662.9 | K | N/A | Pulliam, Gude, et al., 1995 | Uncertainty assigned by TRC = 0.5 K; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| ρc | 1.59 | mol/l | N/A | Pulliam, Gude, et al., 1995 | Uncertainty assigned by TRC = 0.04 mol/l; TRC |
Reduced pressure boiling point
| Tboil (K) | Pressure (atm) | Reference | Comment |
|---|---|---|---|
| 361.2 | 0.014 | Weast and Grasselli, 1989 | BS |
Gas Chromatography
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: 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 | SE-30 | 130. | 1161. | Bierl, Beroza, et al., 1972 | Column length: 3.0 m |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-1 | 1111. | Habu, Flath, et al., 1985 | 3. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tstart: 0. C; Tend: 250. C |
| Capillary | SE-30 | 1113. | Heydanek and McGorrin, 1981 | He, 40. C @ 3. min, 3. K/min; Column length: 50. m; Column diameter: 0.5 mm; Tend: 170. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-1 | 1163. | Teai, Claude-Lafontaine, et al., 2001 | 50. m/0.32 mm/0.52 μm, N2; Program: 40C => 2C/min => 130C => 4C/min => 250C |
References
Go To: Top, 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.
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]
Smith, 1960
Smith, R.F.,
J. Org. Chem., 1960, 25, 453-54. [all data]
Wagner, 1891
Wagner, G.,
J. Prakt. Chem., 1891, 44, 257. [all data]
Pulliam, Gude, et al., 1995
Pulliam, M.K.; Gude, M.T.; Teja, A.S.,
Critical Temperatures and Densities of n-Alkanones,
J. Chem. Eng. Data, 1995, 40, 455-8. [all data]
Bierl, Beroza, et al., 1972
Bierl, B.A.; Beroza, M.; Aldridge, M.H.,
Effect of functional-group position on retention indices of six classes of compounds on four stationary phases,
J. Chromatogr. Sci., 1972, 10, 12, 712-715, https://doi.org/10.1093/chromsci/10.12.712
. [all data]
Habu, Flath, et al., 1985
Habu, T.; Flath, R.A.; Mon, T.R.; Morton, J.F.,
Volatile components of Rooibos tea (Aspalathus linearis),
J. Agric. Food Chem., 1985, 33, 2, 249-254, https://doi.org/10.1021/jf00062a024
. [all data]
Heydanek and McGorrin, 1981
Heydanek, M.G.; McGorrin, R.J.,
Gas chromatography-mass spectroscopy investigations on the flavor chemistry of oat groats,
J. Agric. Food Chem., 1981, 29, 5, 950-954, https://doi.org/10.1021/jf00107a016
. [all data]
Teai, Claude-Lafontaine, et al., 2001
Teai, T.; Claude-Lafontaine, A.; Schippa, C.; Cozzolino, F.,
Volatile compounds in fresh pulp of pineapple (Ananas comosus [L.] Merr.) from French Polynesia,
J. Essent. Oil Res., 2001, 13, 5, 314-318, https://doi.org/10.1080/10412905.2001.9712222
. [all data]
Notes
Go To: Top, Phase change data, Gas Chromatography, References
- Symbols used in this document:
Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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