Benzene, (1-ethylbutyl)-

• Formula: C₁₂H₁₈
• Molecular weight: 162.2713
• IUPAC Standard InChI: InChI=1S/C12H18/c1-3-8-11(4-2)12-9-6-5-7-10-12/h5-7,9-11H,3-4,8H2,1-2H3 Copy

  
• IUPAC Standard InChIKey: SLVCCWGFGQVDMN-UHFFFAOYSA-N Copy
• CAS Registry Number: 4468-42-2
• 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: Hexane, 3-phenyl-; 3-Phenylhexane; (3-Hexyl)benzene; (1-Ethylbutyl)benzene
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• Information on this page:
  • Phase change data
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Condensed phase thermochemistry data
  • Reaction thermochemistry data
  • Mass spectrum (electron ionization)
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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 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, polar column, isothermal

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Normal alkane RI, 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 C11 ANd C12 Phenylalkane and Cyclohexylalkane Hydrocarbons, J. Am. Chem. Soc., 1953, 75, 4787. [all data]

Gilman and Meals, 1943
Gilman, H.; Meals, R.N., Rearrangements in the Friedel-Crafts Alkylation of Benzene, J. Org. Chem., 1943, 8, 126. [all data]

Huston and Kaye, 1942
Huston, R.C.; Kaye, I.A., The condensation of some secondary aliphatic alcohols with benzene in the presence of aluminum chloride, J. Am. Chem. Soc., 1942, 64, 1576-80. [all data]

Döring, Estel, et al., 1974
Döring, C.E.; Estel, D.; Fischer, R., Kapillar-gaschromatographische Charakterisierung von C₁₀-bis C₁₂-Aromaten, J. Prakt. Chem., 1974, 316, 1, 1-12, https://doi.org/10.1002/prac.19743160102 . [all data]

Sutter, Peterson, et al., 1997
Sutter, J.M.; Peterson, T.A.; Jurs, P.C., Prediction of gas chromatographic retention indices of alkylbenzenes, Anal. Chim. Acta., 1997, 342, 2-3, 113-122, https://doi.org/10.1016/S0003-2670(96)00578-8 . [all data]

Notes

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• Symbols used in this document:
  

  Tboil	Boiling point
  Tfus	Fusion (melting) point

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