p-tert.-Butylcatechol

• Formula: C₁₀H₁₄O₂
• Molecular weight: 166.2170
• IUPAC Standard InChI: InChI=1S/C10H14O2/c1-10(2,3)7-4-5-8(11)9(12)6-7/h4-6,11-12H,1-3H3 Copy

  
• IUPAC Standard InChIKey: XESZUVZBAMCAEJ-UHFFFAOYSA-N Copy
• CAS Registry Number: 98-29-3
• 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.
• Other names: 1,2-Benzenediol, 4-(1,1-dimethylethyl)-; Pyrocatechol, 4-tert-butyl-; p-tert-Butylcatechol; p-tert-Butylpyrocatechol; 1,2-Dihydroxy-4-tert-butylbenzene; 4-tert-Butyl-1,2-benzenediol; 4-tert-Butyl-1,2-dihydroxybenzene; 4-tert-Butylcatechin; 4-tert-Butylcatechol; 4-tert-Butylpyrocatechol; p-t-Butyl catechol; 4-t-Butylcatechol; p-t-Butylpyrocatechol; 4-t-Butylpyrocatechol; 4-tert-Butylpyrokatechin; Synox TBC; 4-t-Butyl-1,2-benzenediol; 4-TBC; NSC 5310
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• Information on this page:
  • Phase change data
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • 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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.

Enthalpy of sublimation

Enthalpy of fusion

Mass spectrum (electron ionization)

Go To: Top, Phase change 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, Phase change 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.

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]

Steele, Chirico, et al., 1997
Steele, W.V.; Chirico, R.D.; Knipmeyer, S.E.; Nguyen, A., Vapor Pressure, Heat Capacity, and Density along the Saturated Line, Measurements for Dimethyl Isophthalate, Dimethyl Carbonate, 1,3,5-Trimethyl benzene, Pentafluorophenol, 4-tert-Butylcatechol, .alp, J. Chem. Eng. Data, 1997, 42, 1008-20. [all data]

Steele, Chirico, et al., 1997, 2
Steele, W.V.; Chirico, R.D.; Knipmeyer, S.E.; Nguyen, A., Vapor Pressure, Heat Capacity, and Density along the Saturation Line, Measurements for Dimethyl Isophthalate, Dimethyl Carbonate, 1,3,5-Triethylbenzene, Pentafluorophenol, 4- tert -Butylcatechol, α-Methylstyrene, and N , N '-Bis(2-hydroxyethyl)ethylenediamine, J. Chem. Eng. Data, 1997, 42, 6, 1008-1020, https://doi.org/10.1021/je970102d . [all data]

Verevkin and Schick, 2000
Verevkin, Sergey P.; Schick, Christoph, Substituent Effects on the Benzene Ring. Determination of the Intramolecular Interactions of Substituents in tert -Alkyl-Substituted Catechols from Thermochemical Measurements, J. Chem. Eng. Data, 2000, 45, 5, 946-952, https://doi.org/10.1021/je0001126 . [all data]

Carson, 1984
Carson, A.S., The molar enthalpy of dehydration of Cr2(O2CCH3)4·2H2O(cr) and the molar enthalpies of sublimation of Cr2(O2CCH3)4(cr), Mo2(O2CCH3)4(cr), and Mo2(O2CCF3)4(cr), The Journal of Chemical Thermodynamics, 1984, 16, 5, 427-429, https://doi.org/10.1016/0021-9614(84)90198-8 . [all data]

Ribeiro Da Silva and Ribeiro Da Silva, 1984
Ribeiro Da Silva, M.D.M.C.; Ribeiro Da Silva, M.A.V., Enthalpies of combustion of 1,2-dihydroxybenzene and of six alkylsubstituted 1,2-dihydroxybenzenes, J. Chem. Thermodyn., 1984, 16, 1149-1155. [all data]

Notes

Go To: Top, Phase change data, Mass spectrum (electron ionization), References

• Symbols used in this document:
  

  Pc	Critical pressure
  Tboil	Boiling point
  Tc	Critical temperature
  Ttriple	Triple point temperature
  ΔfusH	Enthalpy of fusion
  ΔsubH	Enthalpy of sublimation
  ΔsubH°	Enthalpy of sublimation at standard conditions
  ΔvapH°	Enthalpy of vaporization at standard conditions
  ρc	Critical density

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