Dewar benzene, hexamethyl-

• Formula: C₁₂H₁₈
• Molecular weight: 162.2713
• IUPAC Standard InChI: InChI=1S/C12H18/c1-7-8(2)12(6)10(4)9(3)11(7,12)5/h1-6H3 Copy

  
• IUPAC Standard InChIKey: RVNQQZMIWZPGNA-UHFFFAOYSA-N Copy
• CAS Registry Number: 7641-77-2
• 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: Bicyclo[2.2.0]hexa-2,5-diene, 1,2,3,4,5,6-hexamethyl-; Hexamethyl Dewar benzene; Hexamethylbicyclo[2.2.0]hexa-2,5-diene; 1,2,3,4,5,6-Hexamethylbicyclo[2.2.0]hexa-2,5-diene; Bicyclo(2.2.0)hexa-2,5-diene, hexamethyl-; 2-Butin hexamethyl-dewar-benzol; Hexamethyl-bicyclo(2.2.0)hexa-2,5-dien; 1,2,3,4,5,6-hexamethylbicyclo(2,2,0)hexa-2,5-diene
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• Information on this page:
  • Phase change data
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • Condensed phase thermochemistry data
  • Reaction thermochemistry data
  • UV/Visible spectrum
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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: Robert L. Brown and Stephen E. Stein

Reduced pressure boiling point

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 compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

View reactions leading to C₁₂H₁₈⁺ (ion structure unspecified)

Ionization energy determinations

Mass spectrum (electron ionization)

Go To: Top, Phase change data, Gas phase ion energetics data, References, Notes

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, Phase change data, Gas phase ion energetics 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.

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]

Bougeard, Schrader, et al., 1974
Bougeard, D.; Schrader, B.; Bleckmann, P.; Plesser, T., Ramanspektroskopie und molekulstruktur. VII. Infrarot-, raman- und photoelektronenspektrum des hexamethyl-dewarbenzols; normalkoordinatenberechnung und untersuchung der π-elektronen-wechselwirkung, Justus Liebigs Ann. Chem., 1974, 156, 137. [all data]

Marschner, Juds, et al., 1973
Marschner, F.; Juds, H.; Goetz, H., Zur homokonjugation im hexamethyl-dewar-benzol, Tetrahedron Lett., 1973, 3983. [all data]

Notes

Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), References

• Symbols used in this document:
  

  Tboil

  Boiling point

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