Phenol, 4-(1,1-dimethylpropyl)-

• Formula: C₁₁H₁₆O
• Molecular weight: 164.2441
• IUPAC Standard InChI: InChI=1S/C11H16O/c1-4-11(2,3)9-5-7-10(12)8-6-9/h5-8,12H,4H2,1-3H3 Copy

  
• IUPAC Standard InChIKey: NRZWYNLTFLDQQX-UHFFFAOYSA-N Copy
• CAS Registry Number: 80-46-6
• Chemical structure:
  This structure is also available as a 2d Mol file
• Other names: Phenol, p-tert-pentyl-; p-(α,α-Dimethylpropyl)phenol; p-tert-Amylphenol; p-tert-Pentylphenol; Amilfenol; 4-(1,1-Dimethylpropyl)Phenol; 4-tert-Amylphenol; 4-tert-Pentylphenol; p-(1,1-Dimethyl propyl) phenol; Pentaphen; Amilphenol; Amyl phenol 4T; PTAP; Ucar amyl phenol 4T; 1-Hydroxy-4-(1,1-dimethylpropyl)benzene; 4-(1,1-Dimethylpropyl)-1-phenol; 2-Methyl-2-p-hydroxyphenylbutane; p-t-Pentylphenol; 4-t-Amylphenol; 1-Hydroxy-4-(2-methyl-2-butyl)benzene; Nipacide PTAP; p-t-Amyl phenol; Para-tertiary amylphenol; Pentaphen 67; NSC 403672
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• Information on this page:
  • Phase change data
  • References
  • Notes
• Other data available:
  • Reaction thermochemistry data
  • Mass spectrum (electron ionization)
  • Gas Chromatography
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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
AC - William E. Acree, Jr., James S. Chickos

Enthalpy of vaporization

Antoine Equation Parameters

log₁₀(P) = A − (B / (T + C))
    P = vapor pressure (atm)
    T = temperature (K)

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Enthalpy of sublimation

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.

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

Natelson, 1934
Natelson, S., Rearrangement of Alkyl Phenyl Ethers on Heating at Moderate Temp. Synthesis of Tertiary Amyl, Tertiary Butyl and Diisobutyl Phenols, J. Am. Chem. Soc., 1934, 56, 1583. [all data]

Huston and Hsieh, 1936
Huston, R.C.; Hsieh, T.Y., Condensation of Aliphatic Alcohols with Aromatic Compounds in the Presence of ALuminum Chloride I., J. Am. Chem. Soc., 1936, 58, 439. [all data]

Verevkin, 1999
Verevkin, S.P., Thermochemistry of phenols: quantification of theortho-,para-, andmeta-interactions in tert-alkyl substituted phenols, The Journal of Chemical Thermodynamics, 1999, 31, 5, 559-585, https://doi.org/10.1006/jcht.1998.0459 . [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Stull, 1947
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [all data]

Notes

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• Symbols used in this document:
  

  Tboil	Boiling point
  Tfus	Fusion (melting) point
  ΔsubH	Enthalpy of sublimation
  ΔsubH°	Enthalpy of sublimation at standard conditions
  ΔvapH	Enthalpy of vaporization
  ΔvapH°	Enthalpy of vaporization at standard conditions

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