Benzene, [2-methyl-1-(1-methylethyl)propyl]-

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

  
• IUPAC Standard InChIKey: GKGTVJOYFGUPSA-UHFFFAOYSA-N Copy
• CAS Registry Number: 21777-84-4
• 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: Benzene, (1-isopropyl-2-methylpropyl)-; α,α-Diisopropyltoluene; (1-Isopropyl-2-methylpropyl)benzene; 2,4-Dimethyl-3-phenylpentane
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• Information on this page:
  • Condensed phase thermochemistry data
  • Phase change data
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
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Condensed phase 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

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

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

Normal alkane 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.

Lamberti and Wise, 1953
Lamberti, J.M.; Wise, P.H., Synthesis and physical properties of some C₁₂ and C₁₃ phenylalkane and cyclohexylalkane hydrocarbons, J. Am. Chem. Soc., 1953, 75, 4787-4789. [all data]

Lamberti and Wise, 1953, 2
Lamberti, J.M.; Wise, P.H., Synthesis and Physical Properties of Some C11 ANd C12 Phenylalkane and Cyclohexylalkane Hydrocarbons, J. Am. Chem. Soc., 1953, 75, 4787. [all data]

Papazova and Pankova, 1975
Papazova, D.I.; Pankova, M.C., Identification of individual aromatic hydrocarbons in kerosene fraction (b.p. 150-250 °), J. Chromatogr., 1975, 105, 2, 411-414, https://doi.org/10.1016/S0021-9673(01)82276-7 . [all data]

Notes

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• Symbols used in this document:
  

  Tboil	Boiling point
  Tfus	Fusion (melting) point
  ΔcH°liquid	Enthalpy of combustion of liquid at standard conditions

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