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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
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.

Quantity Value Units Method Reference Comment
Tboil538.2KN/AAldrich Chemical Company Inc., 1990BS
Tboil536.7KN/AWeast and Grasselli, 1989BS
Quantity Value Units Method Reference Comment
Deltavap72.4 ± 0.5kJ/molN/AVerevkin, 1999AC
Quantity Value Units Method Reference Comment
Deltasub92.9 ± 2.8kJ/molCRibeiro da Silva, Matos, et al., 1999AC
Deltasub86.7 ± 0.3kJ/molN/AVerevkin, 1999AC
Deltasub107.1kJ/molCBertholon, Giray, et al., 1971ALS
Deltasub110.0kJ/molN/ABertholon, Giray, et al., 1971DRB

Reduced pressure boiling point

Tboil (K) Pressure (bar) Reference Comment
419.20.027Weast and Grasselli, 1989BS

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
69.2 ± 0.5350.GSVerevkin, 1999Based on data from 333. - 368. K.; AC
60.1418.AStephenson and Malanowski, 1987Based on data from 403. - 537. 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
357.7 - 533.95.495832821.466-20.563Stull, 1947Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

DeltasubH (kJ/mol) Temperature (K) Method Reference Comment
86.1 ± 0.3308.GSVerevkin, 1999Based on data from 288. - 327. K.; AC


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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]

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]

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]

Ribeiro da Silva, Matos, et al., 1999
Ribeiro da Silva, M.A.V.; Matos, M.A.R.; Morais, V.M.F.; Miranda, M.S., Thermochemical and Theoretical Study of tert -Butyl and Di- tert -butylphenol Isomers, J. Org. Chem., 1999, 64, 24, 8816-8820, https://doi.org/10.1021/jo990801o . [all data]

Bertholon, Giray, et al., 1971
Bertholon, G.; Giray, M.; Perrin, R.; Vincent-Falquet-Berny, M.F., No. 532. - Etude physicochimique des phenols. OX. - Ethanlpies de combustion et energies de resonance des alcoyl et aryphenols, Bull. Soc. Chim. France, 1971, 3180-3187. [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]


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