Benzoyl chloride, 4-(1,1-dimethylethyl)-

• Formula: C₁₁H₁₃ClO
• Molecular weight: 196.673
• IUPAC Standard InChI: InChI=1S/C11H13ClO/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3 Copy

  
• IUPAC Standard InChIKey: WNLMYNASWOULQY-UHFFFAOYSA-N Copy
• CAS Registry Number: 1710-98-1
• 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: 4-tert-Butylbenzoyl chloride; p-tert-Butylbenzoyl chloride
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• Information on this page:
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • Phase change data
  • Mass spectrum (electron ionization)
  • Gas Chromatography
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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:
LL - Sharon G. Lias and Joel F. Liebman
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

Appearance energy determinations

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.

Takhistov, Misharev, et al., 1995
Takhistov, V.V.; Misharev, A.D.; Orlov, V.M.; Ponomarev, D.A.; Voss, J., Thermochemistry and mass spectrometry of aromatic compounds with tertiary alkyl groups, Eur. Mass Spectrom., 1995, 1, 353. [all data]

Fraser and Paul, 1968
Fraser, R.T.M.; Paul, N.C., The mass spectrometry of nitrate esters and related compounds. Part I, J. Chem. Soc. B, 1968, 659. [all data]

Notes

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• Symbols used in this document:
  

  AE	Appearance energy

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