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

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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

Quantity Value Units Method Reference Comment
Tboil528.2KN/AAldrich Chemical Company Inc., 1990BS
Tboil535.65KN/ANatelson, 1934Uncertainty assigned by TRC = 4. K; TRC
Quantity Value Units Method Reference Comment
Tfus368.KN/AHuston and Hsieh, 1936Uncertainty assigned by TRC = 3. K; TRC
Tfus366.15KN/ANatelson, 1934Uncertainty assigned by TRC = 2. K; TRC
Quantity Value Units Method Reference Comment
Δvap65.3 ± 0.2kJ/molGSVerevkin, 1999Based on data from 297. to 333. K.; AC
Quantity Value Units Method Reference Comment
Δsub88.3 ± 0.5kJ/molGSVerevkin, 1999Based on data from 293. to 333. K.; AC

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
64.2 ± 0.2329.GSVerevkin, 1999Based on data from 297. to 333. K.; AC
58.2400.AStephenson and Malanowski, 1987Based on data from 385. to 548. K.; AC

Antoine Equation Parameters

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

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Temperature (K) A B C Reference Comment
383.0 to 539.4.787882393.902-39.163Stull, 1947Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

ΔsubH (kJ/mol) Temperature (K) Method Reference Comment
87.4 ± 0.5313.GSVerevkin, 1999Based on data from 293. to 333. K.; AC

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Reaction thermochemistry 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

2-(1,1-dimethylpropyl)phenol = Phenol, 4-(1,1-dimethylpropyl)-

By formula: C11H16O = C11H16O

Quantity Value Units Method Reference Comment
Δr-16.7 ± 1.8kJ/molEqkNesterova, Verevkin, et al., 1985liquid phase

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]

Nesterova, Verevkin, et al., 1985
Nesterova, T.N.; Verevkin, S.P.; Malova, T.N.; Pilshchikov, V.A., Study of an equilibrium of tert-alkylphenols (thermodynamic analysis of the alkylation of phenols by branched olefins), Zh. Prikl. Khim. (Leningrad), 1985, 58, 827-833. [all data]


Notes

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