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3-Undecanone

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Phase change data

Go To: Top, 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
Tboil500.2KN/AWeast and Grasselli, 1989BS
Tboil500.KN/APickard and Kenyon, 1913Uncertainty assigned by TRC = 4. K; TRC
Quantity Value Units Method Reference Comment
Tfus285.7KN/AVon Braun and Teuffert, 1929Uncertainty assigned by TRC = 2. K; TRC
Tfus277.7KN/AThoms and Mannich, 1903Uncertainty assigned by TRC = 2. K; TRC
Quantity Value Units Method Reference Comment
Tc684.6KN/APulliam, Gude, et al., 1995Uncertainty assigned by TRC = 1.3 K; TRC
Quantity Value Units Method Reference Comment
rhoc1.44mol/lN/APulliam, Gude, et al., 1995Uncertainty assigned by TRC = 0.04 mol/l; TRC

Reduced pressure boiling point

Tboil (K) Pressure (atm) Reference Comment
378.20.014Weast and Grasselli, 1989BS

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:


Mass spectrum (electron ionization)

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: 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 Japan AIST/NIMC Database- Spectrum MS-NW-2009
NIST MS number 230929

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, 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

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

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Column type Active phase I Reference Comment
CapillaryHP-5MS1255.Saroglou, Marin, et al., 200730. m/0.25 mm/0.25 «mu»m, He, 60. C @ 5. min, 4. K/min; Tend: 280. C
CapillaryBPX-51298.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
CapillaryZB-Wax1586.Brunton, Cronin, et al., 200260. m/0.32 mm/0.25 «mu»m, He, 3. K/min; Tstart: 40. C; Tend: 220. C
CapillarySupelcowax-101571.Vejaphan, Hsieh, et al., 198860. m/0.25 mm/0.25 «mu»m, 40. C @ 5. min, 2. K/min, 175. C @ 20. min

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryHP-5 MS1283.Lazarevic, Radulovic, et al., 201030. m/0.25 mm/0.25 «mu»m, Helium, 5. K/min; Tstart: 70. C; Tend: 290. C
CapillaryDB-51283.Smelcerovic, Spiteller, et al., 200730. m/0.25 mm/0.25 «mu»m, He, 10. K/min, 320. C @ 4. min; Tstart: 60. C
CapillaryCross-Linked Methylsilicone1269.Bravo and Hotchkiss, 1993He, 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

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Column type Active phase I Reference Comment
CapillarySE-301268.Vinogradov, 2004Program: not specified

Normal alkane RI, polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryCarbowax 20M1555.Vinogradov, 2004Program: not specified

References

Go To: Top, Phase change data, 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.

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, Mass spectrum (electron ionization), Gas Chromatography, References