3-Undecanone
- Formula: C11H22O
- Molecular weight: 170.2918
- IUPAC Standard InChIKey: YNMZZHPSYMOGCI-UHFFFAOYSA-N
- CAS Registry Number: 2216-87-7
- 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: Ethyl octyl ketone; Undecan-3-one
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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 | 500.2 | K | N/A | Weast and Grasselli, 1989 | BS |
Tboil | 500. | K | N/A | Pickard and Kenyon, 1913 | Uncertainty assigned by TRC = 4. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 285.7 | K | N/A | Von Braun and Teuffert, 1929 | Uncertainty assigned by TRC = 2. K; TRC |
Tfus | 277.7 | K | N/A | Thoms and Mannich, 1903 | Uncertainty assigned by TRC = 2. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 684.6 | K | N/A | Pulliam, Gude, et al., 1995 | Uncertainty assigned by TRC = 1.3 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 1.44 | 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 |
---|---|---|---|
378.2 | 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
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5MS | 1255. | Saroglou, Marin, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min; Tend: 280. C |
Capillary | BPX-5 | 1298. | Dickschat, Wenzel, et al., 2004 | 25. m/0.22 mm/0.25 μm, He, 50. C @ 5. min, 5. K/min; Tend: 300. C |
Van Den Dool and Kratz RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | ZB-Wax | 1586. | Brunton, Cronin, et al., 2002 | 60. m/0.32 mm/0.25 μm, He, 3. K/min; Tstart: 40. C; Tend: 220. C |
Capillary | Supelcowax-10 | 1571. | Vejaphan, Hsieh, et al., 1988 | 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 | HP-5 MS | 1283. | Lazarevic, Radulovic, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium, 5. K/min; Tstart: 70. C; Tend: 290. C |
Capillary | DB-5 | 1283. | Smelcerovic, Spiteller, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 10. K/min, 320. C @ 4. min; Tstart: 60. C |
Capillary | Cross-Linked Methylsilicone | 1269. | Bravo and Hotchkiss, 1993 | He, 35. C @ 3. min, 4. K/min; Column length: 25. m; Column diameter: 0.32 mm; Tend: 225. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | SE-30 | 1268. | Vinogradov, 2004 | Program: not specified |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Carbowax 20M | 1555. | Vinogradov, 2004 | Program: not specified |
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]
Pickard and Kenyon, 1913
Pickard, R.H.; Kenyon, J.,
Investigations on the dependence of rotatory power on chemical constitution: IV the rotations of the normal secondary alcohols of the formula c(2)h(5).ch(oh).r,
J. Chem. Soc., 1913, 103, 1923-59. [all data]
Von Braun and Teuffert, 1929
Von Braun, J.; Teuffert, W.,
Chem. Ber., 1929, 62, 235. [all data]
Thoms and Mannich, 1903
Thoms, H.; Mannich, C.,
Chem. Ber., 1903, 36, 2544. [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]
Saroglou, Marin, et al., 2007
Saroglou, V.; Marin, P.D.; Rancic, A.; Veljic, M.; Skaltsa, H.,
Composition and antimicrobial activity of the essential oil of six Hypericum species from Serbia,
Biochem. Syst. Ecol., 2007, 35, 3, 146-152, https://doi.org/10.1016/j.bse.2006.09.009
. [all data]
Dickschat, Wenzel, et al., 2004
Dickschat, J.S.; Wenzel, S.C.; Bode, H.B.; Muller, R.; Schulz, S.,
Biosynthesis of Volatiles by the Myxobacterium Myxococcus xanthus,
ChemBioChem, 2004, 5, 6, 778-787, https://doi.org/10.1002/cbic.200300813
. [all data]
Brunton, Cronin, et al., 2002
Brunton, N.P.; Cronin, D.A.; Monahan, F.J.,
Volatile components associated with freshly cooked and oxidized off-flavours in turkey breast meat,
Flavour Fragr. J., 2002, 17, 5, 327-334, https://doi.org/10.1002/ffj.1087
. [all data]
Vejaphan, Hsieh, et al., 1988
Vejaphan, W.; Hsieh, T.C.Y.; Williams, S.S.,
Volatile flavor components from boiled crayfish (Procambarus clarkii) tail meat,
J. Food Sci., 1988, 53, 6, 1666-1670, https://doi.org/10.1111/j.1365-2621.1988.tb07811.x
. [all data]
Lazarevic, Radulovic, et al., 2010
Lazarevic, J.; Radulovic, N.; Palic, R.; Zlatkovic, B.,
Chemical Analusis of volatile constituents of Berula erecta (Hudson) Coville subsp. erecta (Apiaceae) from Serbia,
J. Essential Oil. Res., 2010, 22, 3, 153-156, https://doi.org/10.1080/10412905.2010.9700290
. [all data]
Smelcerovic, Spiteller, et al., 2007
Smelcerovic, A.; Spiteller, M.; Ligon, A.P.; Smelcerovic, Z.; Raabe, N.,
Essential oil composition of Hypericum L. species from Southeastern Serbia and their chemotaxonomy,
Biochem. Syst. Ecol., 2007, 35, 2, 99-113, https://doi.org/10.1016/j.bse.2006.09.012
. [all data]
Bravo and Hotchkiss, 1993
Bravo, A.; Hotchkiss, J.H.,
Identification of volatile compounds resulting from the thermal oxidation of polyethylene,
J. Appl. Polym. Sci., 1993, 47, 10, 1741-1748, https://doi.org/10.1002/app.1993.070471004
. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [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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