Butanal, 3,3-dimethyl-

• Formula: C₆H₁₂O
• Molecular weight: 100.1589
• IUPAC Standard InChI: InChI=1S/C6H12O/c1-6(2,3)4-5-7/h5H,4H2,1-3H3 Copy

  
• IUPAC Standard InChIKey: LTNUSYNQZJZUSY-UHFFFAOYSA-N Copy
• CAS Registry Number: 2987-16-8
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
  The 3d structure may be viewed using Java or Javascript.
• Species with the same structure:
  • 3,3-Dimethylbutanal
• Other names: 3,3-Dimethylbutanal; 3,3-dimethylbutyraldehyde
• Information on this page:
  • Phase change data
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • Reaction thermochemistry data
  • IR Spectrum
  • Gas Chromatography
• 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 by: Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director

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:
B - John E. Bartmess
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

De-protonation reactions

C₆H₁₁O^- +  =

By formula: C₆H₁₁O^- + H⁺ = C₆H₁₂O

References

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

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Pomerantz, 1952
Pomerantz, P., Synthesis and physical properties of n-heptane and 2,2,4-trimethylpentane, J. Res. Natl. Bur. Stand. (U. S.), 1952, 48, 76-81. [all data]

Schmerling, 1946
Schmerling, L., Condensation of Saturated Halides with Unsaturated Compounds II. The Condensation of ALkyl Halides with Monohaloolefins, J. Am. Chem. Soc., 1946, 68, 1650-4. [all data]

Cook, 1943
Cook, N.C., The polymerization of tetramethylethylene hydrogenation studies., Ph.D. Thesis, Penn. State Univ., Univ. Park, PA, 1943. [all data]

Hernandez, Masclet, et al., 1977
Hernandez, R.; Masclet, P.; Mouvier, G., Spectroscopie de photoelectrons d'aldehydes et de cetones aliphatiques, J. Electron Spectrosc. Relat. Phenom., 1977, 10, 333. [all data]

Zimmerman, Reed, et al., 1977
Zimmerman, A.H.; Reed, K.J.; Brauman, J.I., Photodetachment of electrons from enolate anions. Gas phase electron affinities of enolate radicals, J. Am. Chem. Soc., 1977, 99, 7203. [all data]

Notes

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

• Symbols used in this document:
  

  Tboil	Boiling point
  ΔrG°	Free energy of reaction at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions

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