1,3-Cyclobutanedione, 2,2,4,4-tetramethyl-

• Formula: C₈H₁₂O₂
• Molecular weight: 140.1797
• IUPAC Standard InChI: InChI=1S/C8H12O2/c1-7(2)5(9)8(3,4)6(7)10/h1-4H3 Copy

  
• IUPAC Standard InChIKey: RGCDVHNITQEYPO-UHFFFAOYSA-N Copy
• CAS Registry Number: 933-52-8
• 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: Tetramethyl-1,3-cyclobutanedione; Tetramethylcyclobuta-1,3-dione; 1,1,3,3-Tetramethylcyclobutanedione; 2,2,4,4-Tetramethyl-1,3-cyclobutanedione; 2,2,4,4-Tetramethylcyclobutanedione; 2,2,4,4-Tetramethyl cyclobutane-1,3-dione; tetramethylcyclobutane-1,3-dione
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• Information on this page:
  • Phase change data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Gas phase ion energetics data
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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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:
BS - Robert L. Brown and Stephen E. Stein
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Reduced pressure boiling point

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

• SOLUTION (7% IN CHCl3); PERKIN-ELMER 421 (GRATING); DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 2 cm^-1 resolution

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

• gas; HP-GC/MS/IRD

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.

Sellers, 1971
Sellers, P., Enthalpy of formation of tetramethyl-1,3-cyclobutane-dione, Acta Chem. Scand., 1971, 25, 2291-2294. [all data]

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

Notes

Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References

• Symbols used in this document:
  

  Tboil	Boiling point
  ΔsubH°	Enthalpy of sublimation at standard conditions

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