4-tert-Butyltoluene

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Gas phase 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

Quantity Value Units Method Reference Comment
Δfgas-57. ± 2.kJ/molCcbBrown and Domash, 1956Unpublished results

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
Tboil464. ± 3.KAVGN/AAverage of 12 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus222. ± 7.KAVGN/AAverage of 8 values; Individual data points
Quantity Value Units Method Reference Comment
Δvap52.2 ± 0.1kJ/molGSVerevkin, Kozlova, et al., 2008Based on data from 279. to 323. K.; AC
Δvap52.2 ± 0.6kJ/molN/AVerevkin, 1998AC

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
52.3 ± 0.5296.GSVerevkin, 1998Based on data from 279. to 314. K.; AC
49.1357.AStephenson and Malanowski, 1987Based on data from 342. to 465. K. See also Fel'dman, Savko, et al., 1973.; 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:


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.

Brown and Domash, 1956
Brown, H.C.; Domash, L., Steric effects in displacement reactions. XI. The heats of reaction of diborane with pyridine bases. Steric strains in homomorphs of o-t-butyltoluene and hemimellitene, J. Am. Chem. Soc., 1956, 78, 5384-5386. [all data]

Verevkin, Kozlova, et al., 2008
Verevkin, Sergey P.; Kozlova, Svetlana A.; Emel'yanenko, Vladimir N.; Goodrich, Peter; Hardacre, Christopher, Thermochemistry of Ionic Liquid-Catalyzed Reactions. Experimental and Theoretical Study of Chemical Equilibria of Isomerization and Transalkylation of tert -Butylbenzenes, J. Phys. Chem. A, 2008, 112, 44, 11273-11282, https://doi.org/10.1021/jp806410x . [all data]

Verevkin, 1998
Verevkin, Sergey P., Thermochemical properties of branched alkylsubstituted benzenes, The Journal of Chemical Thermodynamics, 1998, 30, 8, 1029-1040, https://doi.org/10.1006/jcht.1998.0370 . [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]

Fel'dman, Savko, et al., 1973
Fel'dman, I.N.; Savko, V.V.; Mamai, U.I.; Finkel'shtein, M.F., Russ. J. Phys. Chem., 1973, 47, 1531. [all data]


Notes

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