Benzene, 1,3-dimethyl-5-(1-methylethyl)-

• Formula: C₁₁H₁₆
• Molecular weight: 148.2447
• IUPAC Standard InChI: InChI=1S/C11H16/c1-8(2)11-6-9(3)5-10(4)7-11/h5-8H,1-4H3 Copy

  
• IUPAC Standard InChIKey: RMKJTYPFCFNTGQ-UHFFFAOYSA-N Copy
• CAS Registry Number: 4706-90-5
• 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: Cumene, 3,5-dimethyl-; 1-Isopropyl-3,5-dimethylbenzene; 1,3-Dimethyl-5-isopropylbenzene; 3,5-Dimethylcumene; 5-Isopropyl-m-xylene; 5-Isopropyl-1,3-dimethylbenzene; 5-Isopropyl-meta-xylene; 1,3-Dimethyl-5-(1-methylethyl)-benzene
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• Information on this page:
  • Phase change data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • UV/Visible spectrum
  • Gas Chromatography
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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 as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
BS - Robert L. Brown and Stephen E. Stein

Reduced pressure boiling point

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

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.

McCaulay, Lien, et al., 1954
McCaulay, D.A.; Lien, A.P.; Launer, P.J., J. Am. Chem. Soc., 1954, 76, 2354. [all data]

Roberts and Good, 1951
Roberts, R.M.; Good, G.M., Effect of Nuclear Substitution on the Rate of SIlica-Zirconia-Alumina- Catalyzed Depropylation of Cumene, J. Am. Chem. Soc., 1951, 73, 1320. [all data]

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [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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