Benzene, 1-bromo-4-(1,1-dimethylethyl)-

• Formula: C₁₀H₁₃Br
• Molecular weight: 213.114
• IUPAC Standard InChI: InChI=1S/C10H13Br/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7H,1-3H3 Copy

  
• IUPAC Standard InChIKey: XHCAGOVGSDHHNP-UHFFFAOYSA-N Copy
• CAS Registry Number: 3972-65-4
• Chemical structure:
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• Other names: Benzene, 1-bromo-4-tert-butyl-; p-Bromo-tert-butylbenzene; 1-Bromo-4-t-butylbenzene; 1-Bromo-4-tert-butylbenzene; 4-Bromo-tert-butylbenzene; p-tert-Butylbromobenzene; 1-tert-Butyl-4-Bromobenzene; 4-tert-Butylbromobenzene; 4-tert-Butyl-1-bromobenzene; 4-tert-Butylphenyl Bromide; 4-t-Butylbromobenzene; 4-Bromo-t-butylbenzene; p-Bromo-t-butylbenzene; 1-Bromo-4-(1,1-dimethylethyl)benzene; NSC 43038
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• Information on this page:
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • Phase change data
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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:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard

Ionization energy determinations

Appearance energy determinations

Mass spectrum (electron ionization)

Go To: Top, 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, 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.

Orlov, Misharev, et al., 1986
Orlov, V.; Misharev, A.; Takhistox, V., Determination of the enthalpy of formation of para-substituted α,α-dimethyl cations in the gas phase, Izv. Akad. Nauk SSSR Ser. Khim., 1986, 9, 2006. [all data]

Baidin, Misharev, et al., 1985
Baidin, V.N.; Misharev, A.D.; Takhistov, V.V., Effect of alkyl substituents on the ionization potentials of halogenobenzenes, Zh. Org. Khim., 1985, 21, 817. [all data]

Notes

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

• Symbols used in this document:
  

  AE	Appearance energy

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