Cyclohexanone, 2-methyl-

• Formula: C₇H₁₂O
• Molecular weight: 112.1696
• IUPAC Standard InChI: InChI=1S/C7H12O/c1-6-4-2-3-5-7(6)8/h6H,2-5H2,1H3 Copy

  
• IUPAC Standard InChIKey: LFSAPCRASZRSKS-UHFFFAOYSA-N Copy
• CAS Registry Number: 583-60-8
• 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.
• Species with the same structure:
  • Cyclohexanone, 2-methyl-, (.+/-.)-
• Other names: α-Methylcyclohexanone; 2-Methyl-1-cyclohexanone; 2-Methylcyclohexanone; o-Methylcyclohexanone; 2-Methyl-cyclohexanon; 2-Metilcicloesanone
• Information on this page:
  • Phase change data
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Condensed phase thermochemistry data
  • Reaction thermochemistry data
  • Gas phase ion energetics data
  • IR Spectrum
• Options:
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• NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)

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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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos

Enthalpy of vaporization

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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Additional Data

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, isothermal

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Normal alkane RI, non-polar column, isothermal

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Normal alkane RI, non-polar column, temperature ramp

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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.

CruzBurguet, Monton, et al., 1993
CruzBurguet, M.; Monton, J.B.; Sancho-Tello, M.; Vazquez, M.I., Vapor-liquid equilibria of cyclohexanone + cyclohexanol and cyclohexanone + 2-methylcyclohexanone systems at 4.00 and 26.66 kPa, J. Chem. Eng. Data, 1993, 38, 328-31. [all data]

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

White and Bishop, 1940
White, A.H.; Bishop, W.S., Dielectric Evidence of Molecular Rotation in the Crystals of Certain Non-aromatic Compounds, J. Am. Chem. Soc., 1940, 62, 8-16. [all data]

Cowan, Jeffery, et al., 1939
Cowan, D.M.; Jeffery, G.H.; Vogel, A.I., Physical properties and chemical constitution. Part 4. Methylcyclohexane and the multiplanar structure of the methylcyclohexane ring., J. Chem. Soc., 1939, 1939, 1862-5. [all data]

Zelinskii, 1897
Zelinskii, N.D., Experiments in the Hexamethylene Series, Ber. Dtsch. Chem. Ges., 1897, 30, 387-91. [all data]

Plate, Liberman, et al., 1953
Plate, A.F.; Liberman, A.L.; Momma, N.A., Preparation of 1,2-Dialkylcycloanes. Synthesis of Stereoisomeric 1-Methyl-2-butylcyclopentanes, Izv. Akad. Nauk SSSR, 1953, 1953, 689. [all data]

Timmermans, 1952
Timmermans, J., Freezing points of organic compounds. VVI New determinations., Bull. Soc. Chim. Belg., 1952, 61, 393. [all data]

Palczewska-Tulinska and Oracz, 2006
Palczewska-Tulinska, Marcela; Oracz, Pawel, Vapor Pressures of Hexanal, 2-Methylcyclohexanone, and 2-Cyclohexen-1-one, J. Chem. Eng. Data, 2006, 51, 2, 639-641, https://doi.org/10.1021/je0504358 . [all data]

Cruz Burguet, Monton, et al., 1993
Cruz Burguet, M.; Monton, Juan B.; Sanchotello, Margarita; Vazquez, M. Isabel, Vapor-liquid equilibria of cyclohexanone + cyclohexanol and cyclohexanone + 2-methylcyclohexanone systems at 4.00 and 26.66 kPa, J. Chem. Eng. Data, 1993, 38, 2, 328-331, https://doi.org/10.1021/je00010a037 . [all data]

Golovnya, Syomina, et al., 1997
Golovnya, R.V.; Syomina, L.A.; Samusenko, A.L., Temperature changes of sorption parameters of di-n-alkylketones and methylcyclohexanones in capillary gas chromatography, Russ. Chem. Bull. (Engl. Transl.), 1997, 46, 2, 314-318, https://doi.org/10.1007/BF02494370 . [all data]

Paris and Alexandre, 1972
Paris, C.; Alexandre, P., Stereochemical Investigation of Cyclohexane and Terpene Compounds by Gas Chromatography, J. Chromatogr. Sci., 1972, 10, 6, 402-411, https://doi.org/10.1093/chromsci/10.6.402 . [all data]

Wehrli and Kováts, 1959
Wehrli, A.; Kováts, E., Gas-chromatographische Charakterisierung ogranischer Verbindungen. Teil 3: Berechnung der Retentionsindices aliphatischer, alicyclischer und aromatischer Verbindungen, Helv. Chim. Acta, 1959, 7, 7, 2709-2736, https://doi.org/10.1002/hlca.19590420745 . [all data]

Shimadzu, 2003
Shimadzu, Gas chromatography analysis of organic solvents using capillary columns (No. 3), 2003, retrieved from http://www.shimadzu.com/apps/form.cfm. [all data]

Leffingwell and Alford, 2011
Leffingwell, J.; Alford, E.D., Volatile constituents of the giant pufball mushroom (Calvatia gigantea), Leffingwell Rep., 2011, 4, 1-17. [all data]

Leffingwell and Alford, 2005
Leffingwell, J.C.; Alford, E.D., Volatile constituents of Perique tobacco, Electron. J. Environ. Agric. Food Chem., 2005, 4, 2, 899-915. [all data]

Health Safety Executive, 2000
Health Safety Executive, MDHS 96 Volatile organic compounds in air - Laboratory method using pumed solid sorbent tubes, solvent desorption and gas chromatography in Methods for the Determination of Hazardous Substances (MDHS) guidance, Crown, Colegate, Norwich, 2000, 1-24, retrieved from http://www.hse.gov.uk/pubns/mdhs/pdfs/mdhs96.pdf. [all data]

Notes

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

• Symbols used in this document:
  

  Tboil	Boiling point
  Tfus	Fusion (melting) point
  ΔvapH	Enthalpy of vaporization
  ΔvapH°	Enthalpy of vaporization at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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