1-Chloro-4-(1,1-dimethylethyl)benzene

• Formula: C₁₀H₁₃Cl
• Molecular weight: 168.663
• IUPAC Standard InChI: InChI=1S/C10H13Cl/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7H,1-3H3 Copy

  
• IUPAC Standard InChIKey: XRTANKYQJQXSFP-UHFFFAOYSA-N Copy
• CAS Registry Number: 3972-56-3
• 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: Benzene, 1-chloro-4-(1,1-dimethylethyl)-; Benzene, 1-tert-butyl-4-chloro-; p-Chloro-tert-butylbenzene; 1-tert-Butyl-4-chlorobenzene; p-tert-Butylchlorobenzene; 4-Chloro-tert-butylbenzene; 4-tert-Butyl-chlorobenzene; 4-tert-butyl-1-chlorobenzene
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• Information on this page:
  • Phase change data
  • References
  • Notes
• Other data available:
  • Condensed phase thermochemistry data
  • Reaction thermochemistry data
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
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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
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director

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.

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

Benkeser, Crimmins, et al., 1968
Benkeser, R.A.; Crimmins, T.F.; Tong, W.H., Factors Governing Orientation in Metalation Reactions IV. The Role of Alkoxide in Metalation Reactions Involving Organosodium Compounds, J. Am. Chem. Soc., 1968, 90, 4366-70. [all data]

Rueggeberg, Cushing, et al., 1946
Rueggeberg, W.H.; Cushing, M.L.; Cook, W.A., Condensation of ALiphatic Alcohols with Aryl Hydrocarbons in the Presence of Chlorosulfuric Acid, J. Am. Chem. Soc., 1946, 68, 191. [all data]

Notes

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• Symbols used in this document:
  

  Tboil

  Boiling point

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