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Cyclohexanone, 5-methyl-2-(1-methylethyl)-

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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
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil481.7KN/AAldrich Chemical Company Inc., 1990BS

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
50.1385.N/ABatiu, 2002Based on data from 372. - 397. K.; AC
51.2365.AStephenson and Malanowski, 1987Based on data from 350. - 483. K.; AC

IR Spectrum

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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

Gas Phase Spectrum

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IR spectrum
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Additional Data

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Owner NIST Standard Reference Data Program
Collection (C) 2018 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
State gas
Instrument HP-GC/MS/IRD

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


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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Due to licensing restrictions, this spectrum cannot be downloaded.

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 Chemical Concepts
NIST MS number 188210

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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

Kovats' RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryHP-5MS1166.Jalali-Heravi, Zekavat, et al., 200660. m/0.25 mm/0.25 «mu»m, He, 40. C @ 1. min, 3. K/min, 250. C @ 20. min
CapillaryOV-11130.Bicchi, Frattini, et al., 198823. m/0.32 mm/0.3 «mu»m, H2, 3. K/min; Tstart: 50. C; Tend: 200. C

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryOptima-5 MS1158.Goeminne, Vandendriessche, et al., 201230. m/0.25 mm/0.25 «mu»m, Helium, 35. C @ 3. min, 10. K/min, 250. C @ 5. min
CapillaryDB-11128.Xu, Tang, et al., 201030. m/0.25 mm/0.25 «mu»m, Helium, 50. C @ 2. min, 4. K/min, 220. C @ 2. min
CapillaryPE-51172.Singh, Raina, et al., 200530. m/0.32 mm/0.25 «mu»m, H2, 60. C @ 2. min, 5. K/min, 230. C @ 4. min

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

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Column type Active phase I Reference Comment
CapillaryOV-11123.Chen and Li, 2011Helium; Column length: 30. m; Column diameter: 0.25 mm; Program: 40 0C 2 0C/min -> 120 0C 10 0C/min -> 230 0C (15 min)
CapillaryDB-11166.Xu, Tang, et al., 201030. m/0.25 mm/0.25 «mu»m, Helium; Program: 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]

Batiu, 2002
Batiu, I., Vapor--liquid equilibria in the binary systems n-decane+(-)-menthone and n-decane+(+)-fenchone at temperatures between 344.45 and 390.75 K, Fluid Phase Equilibria, 2002, 198, 1, 111-121, https://doi.org/10.1016/S0378-3812(01)00759-2 . [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Jalali-Heravi, Zekavat, et al., 2006
Jalali-Heravi, M.; Zekavat, B.; Sereshti, H., Characterization of essential oil components of Iranian geranium oil using gas chromatography-mass spectrometry combined with chemometric resolution techniques, J. Chromatogr. A, 2006, 1114, 1, 154-163, https://doi.org/10.1016/j.chroma.2006.02.034 . [all data]

Bicchi, Frattini, et al., 1988
Bicchi, C.; Frattini, C.; Nano, G.M.; D'Amato, A., On column injection-dual channel analysis of essential oils, J. Hi. Res. Chromatogr. Chromatogr. Comm., 1988, 11, 1, 56-60, https://doi.org/10.1002/jhrc.1240110115 . [all data]

Goeminne, Vandendriessche, et al., 2012
Goeminne, P.C.; Vandendriessche, T.; Van Eldere, J.; Nicolai, B.M.; Hertog, M.L.; Dupont, L.J., Detection of Pseudomonas aeruginosa in sputum headspace through volatile organic compound analysis, Respiratory Res., 2012, 13, 87, 1-9. [all data]

Xu, Tang, et al., 2010
Xu, X.; Tang, Z.; Liang, Y., Comparative analysis of plant essential oils by GC-MS coupled with integrated chemometric resolution methods, Anal. Methods, 2010, 2, 4, 359-367, https://doi.org/10.1039/b9ay00213h . [all data]

Singh, Raina, et al., 2005
Singh, A.K.; Raina, V.K.; Naqvi, A.A.; Patra, N.K.; Kumar, B.; Ram, P.; Khanuja, S.P.S., Essential oil composition and chemoarrays of menthol mint (Mentha arvensis L. f. piperascens Malinvaud ex. Holmes) cultivars, Flavour Fragr. J., 2005, 20, 3, 302-305, https://doi.org/10.1002/ffj.1417 . [all data]

Chen and Li, 2011
Chen, S.; Li, X., Analysis of common volatile constituents between herbal pair Ephedra Sinica Stapf-Zingiber offoconale Rosc. and its single herb by GC-MS combined with AMWFA method, 2011, retrieved from http://www.webmedcentral.com. [all data]


Notes

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