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3-Decanone

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Phase change data

Go To: Top, IR Spectrum, Mass spectrum (electron ionization), 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
Tboil477.7KN/AAldrich Chemical Company Inc., 1990BS
Tboil478.KN/ABaykut and Ozeris, 1956Uncertainty assigned by TRC = 3. K; TRC
Tboil484.KN/APickard and Kenyon, 1913Uncertainty assigned by TRC = 6. K; TRC
Quantity Value Units Method Reference Comment
Tfus275.6KN/ABaykut and Ozeris, 1956Uncertainty assigned by TRC = 4. K; TRC
Quantity Value Units Method Reference Comment
Tc667.6KN/APulliam, Gude, et al., 1995Uncertainty assigned by TRC = 0.5 K; TRC
Quantity Value Units Method Reference Comment
rhoc1.59mol/lN/APulliam, Gude, et al., 1995Uncertainty assigned by TRC = 0.04 mol/l; TRC

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


IR Spectrum

Go To: Top, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, References, Notes

Data compiled by: Coblentz Society, Inc.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director


Mass spectrum (electron ionization)

Go To: Top, Phase change data, IR Spectrum, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Mass spectrum
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Additional Data

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin NIST Mass Spectrometry Data Center, 1990.
NIST MS number 114022

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


Gas Chromatography

Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), 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

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Column type Active phase Temperature (C) I Reference Comment
PackedSE-30130.1176.Bierl, Beroza, et al., 1972Column length: 3.0 m

Van Den Dool and Kratz RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryBPX-51195.Dickschat, Wenzel, et al., 200425. m/0.22 mm/0.25 «mu»m, He, 50. C @ 5. min, 5. K/min; Tend: 300. C

Van Den Dool and Kratz RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryCP-Wax 52CB1455.Mahadevan and Farmer, 200660. C @ 5. min, 4. K/min, 220. C @ 30. min; Column length: 50. m; Column diameter: 0.32 mm
CapillaryZB-Wax1491.Brunton, Cronin, et al., 200260. m/0.32 mm/0.25 «mu»m, He, 3. K/min; Tstart: 40. C; Tend: 220. C

Normal alkane RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryOV-160.1165.Amboni, Junkes, et al., 2002 

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryHP-51187.Velickovic, Randjelovic, et al., 200325. m/0.32 mm/0.53 «mu»m, H2, 4. K/min; Tstart: 40. C; Tend: 280. C
CapillaryHP-51188.Velickovic, Randjelovic, et al., 200325. m/0.32 mm/0.53 «mu»m, H2, 4. K/min; Tstart: 40. C; Tend: 280. C
CapillaryCross-Linked Methylsilicone1168.Bravo and Hotchkiss, 1993He, 35. C @ 3. min, 4. K/min; Column length: 25. m; Column diameter: 0.32 mm; Tend: 225. C
CapillaryOV-1011177.Zenkevich and Ventura, 1991Helium, 50. C @ 0. min, 5. K/min, 240. C @ 0. min; Column length: 54. m; Column diameter: 0.26 mm

Normal alkane RI, non-polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillarySiloxane, 5 % Ph1184.VOC BinBase, 2012Program: not specified
CapillaryPolydimethyl siloxane, 5 % phenyl1184.Skogerson, Wohlgemuth, et al., 2011Program: not specified
CapillarySE-301168.Vinogradov, 2004Program: not specified
CapillaryPolydimethyl siloxane1165.Junkes, Castanho, et al., 2003Program: not specified

Normal alkane RI, polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryCarbowax 20M1455.Vinogradov, 2004Program: not specified

References

Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]

Baykut and Ozeris, 1956
Baykut, F.; Ozeris, S., Istanbul Univ. Fen. Fak. Mecm., Ser. C, 1956, 21, 102. [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]

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]

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]

Mahadevan and Farmer, 2006
Mahadevan, K.; Farmer, L., Key Odor Impact Compounds in Three Yeast Extract Pastes, J. Agric. Food Chem., 2006, 54, 19, 7242-7250, https://doi.org/10.1021/jf061102x . [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]

Amboni, Junkes, et al., 2002
Amboni, R.D.DeM.C.; Junkes, B. daS.; Yunes, R.A.; Heinzen, V.E.F., Quantitative structure-property relationships study of chromatographic retention indices and normal boiling points for oxo compounds using the semi-empirical topological method, J. Mol. Struct. (Theochem), 2002, 586, 1-3, 71-80, https://doi.org/10.1016/S0166-1280(02)00062-3 . [all data]

Velickovic, Randjelovic, et al., 2003
Velickovic, D.T.; Randjelovic, N.V.; Ristic, M.S.; Velickovic, A.S.; Smelcerovic, A.A., Chemical constituents and antimicrobial activity of the ethanol extracts obtained from the flower, leaf, and stem of Salvia officinalis L., J. Serb. Chem. Soc., 2003, 68, 1, 17-24, https://doi.org/10.2298/JSC0301017V . [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]

Zenkevich and Ventura, 1991
Zenkevich, I.G.; Ventura, K., Gas Chromatographic Identification of Volatile Products of Thermal Degradation of Bitumen, Zh. Prikl. Khim. (Rus.), 1991, 9, 1974-1979. [all data]

VOC BinBase, 2012
VOC BinBase, The volatile compound BinBase (VOC BinBase), 2012, retrieved from http://fiehnlab.ucdavis.edu/projects/VocBinBase and http://binbase.sourceforge.net. [all data]

Skogerson, Wohlgemuth, et al., 2011
Skogerson, K.; Wohlgemuth, G.; Fiehn, O., VocBinNase, 2011, retrieved from http://fiehnlab.ucdavis.edu/projects//VocBinBase. [all data]

Vinogradov, 2004
Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]

Junkes, Castanho, et al., 2003
Junkes, B.S.; Castanho, R.D.M.; Amboni, C.; Yunes, R.A.; Heinzen, V.E.F., Semiempirical Topological Index: A Novel Molecular Descriptor for Quantitative Structure-Retention Relationship Studies, Internet Electronic Journal of Molecular Design, 2003, 2, 1, 33-49. [all data]


Notes

Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References