Benzene, (1-methylhexyl)-

• Formula: C₁₃H₂₀
• Molecular weight: 176.2979
• IUPAC Standard InChI: InChI=1S/C13H20/c1-3-4-6-9-12(2)13-10-7-5-8-11-13/h5,7-8,10-12H,3-4,6,9H2,1-2H3 Copy

  
• IUPAC Standard InChIKey: CAEGRAMHTMWFPP-UHFFFAOYSA-N Copy
• CAS Registry Number: 2132-84-5
• 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: Heptane, 2-phenyl-; (1-Methylhexyl)benzene
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• Information on this page:
  • Reaction thermochemistry data
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • Gas Chromatography
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Reaction thermochemistry 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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Individual Reactions

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By formula: C₁₃H₂₀ = C₁₃H₂₀

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By formula: C₁₃H₂₀ = C₁₃H₂₀

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

References

Go To: Top, Reaction thermochemistry data, Mass spectrum (electron ionization), Notes

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

Pimerzin, Nesterova, et al., 1986
Pimerzin, A.A.; Nesterova, T.N.; Rozhnov, A.M., Equilibria of isomeric transformations and relations between thermodynamic properties of secondary alkylbenzenes, J. Chem. Thermodyn., 1986, 17, 641-648. [all data]

Pimerzin, Nesterova, et al., 1985
Pimerzin, a.A.; Nesterova, T.N.; Rozhnov, A.M., Equilibria of isomeric transformations and relations between thermodynamic properties of secondary alkylbenzenes, J. Chem. Thermodyn., 1985, 17, 641-648. [all data]

Nesterova, Pimerzin, et al., 1984
Nesterova, T.N.; Pimerzin, A.A.; Rozhnov, A.M.; Roshchupkina, I.Ya., Thermodynamics of aromatic hydrocarbons, Probl. Kalorim. Khim. Termodin., Dokl. Vses. Konf., 10th, 1984, 1, 225-227. [all data]

Notes

Go To: Top, Reaction thermochemistry data, Mass spectrum (electron ionization), References

• Symbols used in this document:
  

  ΔrH°	Enthalpy of reaction at standard conditions

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