1-Hexanol, 4-methyl-

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Phase change data

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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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil446.15KN/APichler, Ziesecke, et al., 1950Uncertainty assigned by TRC = 1. K; TRC
Tboil436.15KN/AGraves, 1931Uncertainty assigned by TRC = 2. K; TRC

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Reference Comment
15.0363.Wilhoit and Zwolinski, 1973Based on data from 348. to 448. K.; AC

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Mass spectrum (electron ionization)

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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 CARL DJERASSI DEPT OF CHEM STANFORD UNIV STANFORD CALIF 94305
NIST MS number 46368

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Gas Chromatography

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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
CapillaryDB-Petro925.9Pang T., Zhu S., et al., 200750. m/0.2 mm/0.5 μm, 2. K/min; Tstart: 50. C; Tend: 270. C
CapillaryDB-Petro925.9Pang T., Zhu S., et al., 200750. m/0.2 mm/0.5 μm, 2. K/min; Tstart: 50. C; Tend: 270. C

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

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Column type Active phase I Reference Comment
CapillaryDB-Wax1414.Shimoda, Peralta, et al., 199660. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 50. C; Tend: 230. C

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryBPX-5950.Dickschat, Martens, et al., 200525. m/0.22 mm/0.25 μm, He, 50. C @ 5. min, 5. K/min; Tend: 320. C
CapillaryBPX-5955.Dickschat, Martens, et al., 200525. m/0.22 mm/0.25 μm, He, 50. C @ 5. min, 5. K/min; Tend: 320. C

Normal alkane RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryDB-Wax1434.Dregus and Engel, 200360. m/0.32 mm/0.25 μm, H2, 40. C @ 5. min, 4. K/min, 230. C @ 25. min
CapillaryRTX-Wax1445.Galindo-Cuspinera, Lubran, et al., 200260. m/0.25 mm/0.5 μm, He, 40. C @ 5. min, 5. K/min, 180. C @ 20. min
CapillarySupelcowax-101443.Loughrin, Hamilton-Kemp, et al., 1990He, 60. C @ 1. min, 2. K/min; Column length: 60. m; Column diameter: 0.32 mm; Tend: 220. C

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.

Pichler, Ziesecke, et al., 1950
Pichler, H.; Ziesecke, K.H.; Traeger, B., The Oxygen-containing Compounds, Especially Alcohols, Formed in Isosynthesis, Brennst.-Chem., 1950, 31, 361. [all data]

Graves, 1931
Graves, G.D., Ind. Eng. Chem., 1931, 23, 1381. [all data]

Wilhoit and Zwolinski, 1973
Wilhoit, R.C.; Zwolinski, B.J., Physical and thermodynamic properties of aliphatic alcohols, J. Phys. Chem. Ref. Data Suppl., 1973, 1, 2, 1. [all data]

Pang T., Zhu S., et al., 2007
Pang T.; Zhu S.; Lu X.; Xu G., Identification of unknown compounds on the basis of retention index data in comprehensive two-dimensional gas chromatography, J. Sep. Sci., 2007, 30, 6, 868-874, https://doi.org/10.1002/jssc.200600471 . [all data]

Shimoda, Peralta, et al., 1996
Shimoda, M.; Peralta, R.R.; Osajima, Y., Headspace gas analysis of fish sauce, J. Agric. Food Chem., 1996, 44, 11, 3601-3605, https://doi.org/10.1021/jf960345u . [all data]

Dickschat, Martens, et al., 2005
Dickschat, J.S.; Martens, T.; Brinkhoff, T.; Simon, M.; Schulz, S., Volatiles released by a Streptomyces species isolated from the North Sea, Chemistry and Biodiversity, 2005, 2, 7, 837-865, https://doi.org/10.1002/cbdv.200590062 . [all data]

Dregus and Engel, 2003
Dregus, M.; Engel, K.-H., Volatile constituents of uncooked Rhubarb (Rheum rhabarbarum L.) stalks, J. Agric. Food Chem., 2003, 51, 22, 6530-6536, https://doi.org/10.1021/jf030399l . [all data]

Galindo-Cuspinera, Lubran, et al., 2002
Galindo-Cuspinera, V.; Lubran, M.B.; Rankin, S.A., Comparison of volatile compounds in water- and oil-soluble annatto (Bixa orellana L.) extracts, J. Agric. Food Chem., 2002, 50, 7, 2010-2015, https://doi.org/10.1021/jf011325h . [all data]

Loughrin, Hamilton-Kemp, et al., 1990
Loughrin, J.H.; Hamilton-Kemp, T.R.; Andersen, R.A.; Hildebrand, D.F., Headspace compounds from flowers of Nicotiana tabacum and related species, J. Agric. Food Chem., 1990, 38, 2, 455-460, https://doi.org/10.1021/jf00092a027 . [all data]


Notes

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