Benzene, 1-methyl-3-(1-methylethyl)-

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Condensed 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
Δfliquid-78.7 ± 1.1kJ/molCcbGood, 1973 
Δfliquid-78.2 ± 2.1kJ/molCcbProsen, Johnson, et al., 1946 
Quantity Value Units Method Reference Comment
Δcliquid-5857.3 ± 1.0kJ/molCcbGood, 1973Corresponding Δfliquid = -78.62 kJ/mol (simple calculation by NIST; no Washburn corrections)
Δcliquid-5857.8 ± 2.2kJ/molCcbProsen, Johnson, et al., 1946Corresponding Δfliquid = -78.12 kJ/mol (simple calculation by NIST; no Washburn corrections)

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
Tboil448. ± 2.KAVGN/AAverage of 17 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus209.38KN/AStreiff, Hulme, et al., 1955Uncertainty assigned by TRC = 0.02 K; TRC
Tfus209.39KN/AStreiff, Hulme, et al., 1955Uncertainty assigned by TRC = 0.02 K; TRC
Tfus209.4KN/AStreiff, Hulme, et al., 1955Uncertainty assigned by TRC = 0.01 K; TRC
Tfus209.26KN/ABirch, Dean, et al., 1949Uncertainty assigned by TRC = 0.2 K; TRC
Quantity Value Units Method Reference Comment
Δvap50.0kJ/molN/AReid, 1972AC

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
44.7366.AStephenson and Malanowski, 1987Based on data from 351. to 450. K. See also McDonald, Shrader, et al., 1959 and Boublik, Fried, et al., 1984.; 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
289.77 to 448.064.443931784.78-45.917McDonald, Shrader, et al., 1959

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

Benzene, 1-methyl-3-(1-methylethyl)- + Benzene = Toluene + Benzene, (1-methylethyl)-

By formula: C10H14 + C6H6 = C7H8 + C9H12

Quantity Value Units Method Reference Comment
Δr0.0 ± 0.6kJ/molEqkTsvetkov, Rozhnov, et al., 1985liquid phase

o-Cymene = Benzene, 1-methyl-3-(1-methylethyl)-

By formula: C10H14 = C10H14

Quantity Value Units Method Reference Comment
Δr-8.8 ± 1.9kJ/molEqkTsvetkov, Rozhnov, et al., 1985gas phase

p-Cymene = Benzene, 1-methyl-3-(1-methylethyl)-

By formula: C10H14 = C10H14

Quantity Value Units Method Reference Comment
Δr0.0 ± 0.63kJ/molEqkTsvetkov, Rozhnov, 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.

Good, 1973
Good, W.D., The enthalpies of combustion and formation of n-butylbenzene, the diethylbenzenes, the methyl-n-propylbenzenes, and the methyl-iso-propylbenzenes, J. Chem. Thermodyn., 1973, 5, 707-714. [all data]

Prosen, Johnson, et al., 1946
Prosen, E.J.; Johnson, W.H.; Rossini, F.D., Heats of combustion and formation at 25°C of the alkylbenzenes through C10H14, and of the higher normal monoalkylbenzenes, J. Res. NBS, 1946, 36, 455-461. [all data]

Streiff, Hulme, et al., 1955
Streiff, A.J.; Hulme, A.R.; Cowie, P.A.; Krouskop, N.C.; Rossini, F.D., Purification, Purity, and Freezing Points of Sixty-four American Petroleum Institute Standard and Research Hydrocarbons, Anal. Chem., 1955, 27, 411. [all data]

Birch, Dean, et al., 1949
Birch, S.F.; Dean, R.A.; Fidler, F.A.; Lowry, R.A., The preparation of the c(10) monocyclic aromatic hydrocarbons, J. Am. Chem. Soc., 1949, 71, 1362. [all data]

Reid, 1972
Reid, Robert C., Handbook on vapor pressure and heats of vaporization of hydrocarbons and related compounds, R. C. Wilhort and B. J. Zwolinski, Texas A Research Foundation. College Station, Texas(1971). 329 pages.$10.00, AIChE J., 1972, 18, 6, 1278-1278, https://doi.org/10.1002/aic.690180637 . [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]

McDonald, Shrader, et al., 1959
McDonald, R.A.; Shrader, S.A.; Stull, D.R., Vapor Pressures and Freezing Points of Thirty Pure Organic Compounds., J. Chem. Eng. Data, 1959, 4, 4, 311-313, https://doi.org/10.1021/je60004a009 . [all data]

Boublik, Fried, et al., 1984
Boublik, T.; Fried, V.; Hala, E., The Vapour Pressures of Pure Substances: Selected Values of the Temperature Dependence of the Vapour Pressures of Some Pure Substances in the Normal and Low Pressure Region, 2nd ed., Elsevier, New York, 1984, 972. [all data]

Tsvetkov, Rozhnov, et al., 1985
Tsvetkov, V.F.; Rozhnov, A.M.; Nesterova, T.N., Study of the equilibrium of isomerization and transalkylation of isopropyltoluenes, Neftekhimiya, 1985, 53-57. [all data]


Notes

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