o-Isopropenyltoluene

• Formula: C₁₀H₁₂
• Molecular weight: 132.2023
• IUPAC Standard InChI: InChI=1S/C10H12/c1-8(2)10-7-5-4-6-9(10)3/h4-7H,1H2,2-3H3 Copy

  
• IUPAC Standard InChIKey: OGMSGZZPTQNTIK-UHFFFAOYSA-N Copy
• CAS Registry Number: 7399-49-7
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Other names: 1-Methyl-2-iso-propenylbenzene; Benzene, 1-methyl-2-(1-methylethenyl)-; o-Methyl-α-methylstyrene; o,α-Dimethylstyrene; Styrene, o,α-dimethyl-; 1-Isopropenyl-2-methylbenzene; 1-Methyl-2-(1-methylethenyl)-benzene; o-Cymenene
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• Information on this page:
  • Phase change data
  • Gas phase ion energetics data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
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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 by: Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director

Gas phase ion energetics 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 evaluated by: Edward P. Hunter and Sharon G. Lias

View reactions leading to C₁₀H₁₂⁺ (ion structure unspecified)

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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Additional Data

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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References

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

Anonymous, 1952
Anonymous, R., , Physical Properties of Chemical Substances, Dow Chemical Co., 1952. [all data]

Pines, Strehlau, et al., 1950
Pines, H.; Strehlau, D.R.; Ipatieff, V.N., Hydrogen Transfer IV. Reaction of p-Isobutyltoluene and of p-s-Butyltoluene with Methylcyclohexene, J. Am. Chem. Soc., 1950, 72, 1563. [all data]

Pines, Strehlau, et al., 1950, 2
Pines, H.; Strehlau, D.R.; Ipatieff, V.N., Hydrogen Transfer V. Reaction of m-Cymene and o-Cymene with Methylcyclohexane in the Presence of Hydrogen FLuoride, J. Am. Chem. Soc., 1950, 72, 5521. [all data]

Murray and Gallaway, 1948
Murray, M.J.; Gallaway, W.S., Steric Inhibition of Resonance in 1-Methyl-2-isopropenylbenzene, J. Am. Chem. Soc., 1948, 70, 3867. [all data]

Sabatier and Murat, 1913
Sabatier, P.; Murat, M., Preparation of Three Cymenes and Thre Menthanes, C. R. Hebd. Seances Acad. Sci., 1913, 156, 184. [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Zhang, Li, et al., 1992
Zhang, M.J.; Li, S.D.; Chen, B.J., Compositional studies of high-temperature coal tar by GC/FTIR analysis of light oil fractions, Chromatographia, 1992, 33, 3/4, 138-146, https://doi.org/10.1007/BF02275894 . [all data]

Notes

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• Symbols used in this document:
  

  Tboil

  Boiling point

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