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Benzene, 1,2,4,5-tetramethyl-

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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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
Deltafgas-47.1 ± 1.9kJ/molCcbColomina, Jimenez, et al., 1989see Boned, Colomina, et al., 1964; ALS
Deltafgas-46.9 ± 1.8kJ/molCcbDraeger, 1985Unpublished measurments of W.D.Good; ALS
Deltafgas-45.3kJ/molN/AGood, 1975Value computed using «DELTA»fHsolid° value of -119.9±1.3 kj/mol from Good, 1975 and «DELTA»subH° value of 74.6 kj/mol from Colomina, Jimenez, et al., 1989.; DRB

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
139.2200.Draeger, 1985There is an appreciable difference between values of S(T) and Cp(T) for tetra-, penta-, and hexamethylbenzene from earlier statistical thermodynamics calculation [ Hastings S.H., 1957] and those obtained by [ Draeger, 1985] (up to 5, 9, and 16 J/mol*K, respectively). Results [ Draeger, 1985] are more reliable and they agree with experimental data for hexamethylbenzene.; GT
171.6273.15
183.1 ± 0.4298.15
184.0300.
230.7400.
273.9500.
311.4600.
343.2700.
370.4800.
393.7900.
413.71000.
430.81100.
445.61200.
458.31300.
469.31400.
478.81500.

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry 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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Deltafliquid-98.7 ± 3.0kJ/molCcbProsen, Johnson, et al., 1946ALS
Quantity Value Units Method Reference Comment
Deltacliquid-5837.3 ± 3.0kJ/molCcbProsen, Johnson, et al., 1946Corresponding «DELTA»fliquid = -98.58 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-5809.1 ± 5.9kJ/molCcbBanse and Parks, 1933Reanalyzed by Cox and Pilcher, 1970, Original value = -5805.05 kJ/mol; Corresponding «DELTA»fliquid = -126.9 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid245.6J/mol*KN/AHuffman, Parks, et al., 1931Extrapolation below 90 K, 76.69 J/mol*K.; DH
Quantity Value Units Method Reference Comment
Deltafsolid-121.7 ± 1.9kJ/molCcbColomina, Jimenez, et al., 1989see Boned, Colomina, et al., 1964; ALS
Deltafsolid-119.9 ± 1.3kJ/molCcbGood, 1975ALS
Quantity Value Units Method Reference Comment
Deltacsolid-5814.2 ± 1.4kJ/molCcbColomina, Jimenez, et al., 1989see Boned, Colomina, et al., 1964; Corresponding «DELTA»fsolid = -121.7 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacsolid-5816.1 ± 1.2kJ/molCcbGood, 1975Corresponding «DELTA»fsolid = -119.9 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
275.7353.Kurbatov, 1947T = 80 to 193°C, mean Cp, three temperatures.; DH
220.1298.1Eibert, 1944T = 25 to 200°C, equations only in t°C. Cp(c) = 0.3662 + 0.001033t cal/g*K (25 to 45°C); Cp(liq) = 0.424 + 0.000589t cal/g*K (79 to 200°C).; DH
215.1297.1Huffman, Parks, et al., 1931T = 92 to 297.1 K. Value is unsmoothed experimental datum.; DH

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
204.02298.15Colomina, Jimenez, et al., 1989DH
215.6303.15Ferry and Thomas, 1933T = 303 to 393 K.; DH

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Colomina, Jimenez, et al., 1989
Colomina, M.; Jimenez, P.; Roux, M.V.; Turrion, C., Thermochemical properties of 1,2,4,5-tetramethylbenzene, pentamethylbenzene, and hexamethylbenzene, J. Chem. Thermodyn., 1989, 21, 275-281. [all data]

Boned, Colomina, et al., 1964
Boned, M.L.; Colomina, M.; Perez-Ossorio, R.; Turrion, C., Investigaciones termoquimicas sobre los polimetilbencenos superiores, Anal. Fisc. Quim. B, 1964, 60, 459-468. [all data]

Draeger, 1985
Draeger, J.A., The methylbenzenes II. Fundamental vibrational shifts, statistical thermodynamic functions, and properties of formation, J. Chem. Thermodyn., 1985, 17, 263-275. [all data]

Good, 1975
Good, W.D., The standard enthalpies of combustion and formation of n-butylbenzene, the dimethylethylbenzenes, and the tetramethylbenzenes in the condensed state, J. Chem. Thermodyn., 1975, 7, 49-59. [all data]

Hastings S.H., 1957
Hastings S.H., Thermodynamic properties of selected methylbenzenes from 0 to 1000 K, J. Phys. Chem., 1957, 61, 730-735. [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]

Banse and Parks, 1933
Banse, H.; Parks, G.S., Thermal data on organic compounds. XII. The heats of combustion of nine hydrocarbons, J. Am. Chem. Soc., 1933, 55, 3223-3227. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Huffman, Parks, et al., 1931
Huffman, H.M.; Parks, G.S.; Barmore, M., Thermal data on organic compounds. X. Further studies on the heat capacities, entropies and free energies of hydrocarbons, J. Am. Chem. Soc., 1931, 53, 3876-3888. [all data]

Kurbatov, 1947
Kurbatov, V.Ya., Specific heat of liquids. I. Specific heat of benzenoid hydrocarbons, Zhur. Obshch. Khim., 1947, 17, 1999-2003. [all data]

Eibert, 1944
Eibert, J., Thesis Washington University (St. Louis), 1944. [all data]

Ferry and Thomas, 1933
Ferry, J.D.; Thomas, S.B., Some heat capacity data for durene, pentamethylbenzene, stilbene, and dibenzyl, J. Phys. Chem., 1933, 37, 253-255. [all data]


Notes

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