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Benzene, pentamethyl-

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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-67.2 ± 2.2kJ/molCcbColomina, Jimenez, et al., 1989see Boned, Colomina, et al., 1964; ALS
Deltafgas-57.7kJ/molN/AParks, West, et al., 1946Value computed using «DELTA»fHsolid° value of -135.1±2.6 kj/mol from Parks, West, et al., 1946 and «DELTA»subH° value of 77.4 kj/mol from Colomina, Jimenez, et al., 1989.; DRB

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
162.3200.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
199.7273.15
212.5 ± 0.4298.15
213.4300.
264.4400.
311.4500.
352.3600.
387.4700.
417.5800.
443.4900.
465.61000.
484.81100.
501.31200.
515.61300.
527.91400.
538.71500.

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 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
Deltacliquid-6475.6 ± 6.3kJ/molCcbBanse and Parks, 1933Reanalyzed by Cox and Pilcher, 1970, Original value = -6470.64 kJ/mol; Corresponding «DELTA»fliquid = -139.7 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
Deltafsolid-144.6 ± 2.2kJ/molCcbColomina, Jimenez, et al., 1989see Boned, Colomina, et al., 1964; ALS
Deltafsolid-135.1 ± 2.6kJ/molCcbParks, West, et al., 1946Reanalyzed by Cox and Pilcher, 1970, Original value = -135.7 ± 0.04 kJ/mol; ALS
Quantity Value Units Method Reference Comment
Deltacsolid-6470.6 ± 1.6kJ/molCcbColomina, Jimenez, et al., 1989see Boned, Colomina, et al., 1964; Corresponding «DELTA»fsolid = -144.7 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacsolid-6480.1 ± 2.6kJ/molCcbParks, West, et al., 1946Reanalyzed by Cox and Pilcher, 1970, Original value = -6479.6 ± 2.6 kJ/mol; Corresponding «DELTA»fsolid = -135.1 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
solid,1 bar294.1J/mol*KN/AHuffman, Parks, et al., 1931crystaline, I phase; Extrapolation below 90 K, 102.9 J/mol*K.; DH

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
210.5298.15Colomina, Jimenez, et al., 1989DH
270.3298.1Eibert, 1944crystaline, I phase; T = 25 to 200°C, equations only, in t°C. Cp(c) = 0.3914 + 0.001760t cal/g*K (25 to 40°C); Cp(liq) = 0.432 + 0.000425 t cal/g*K (55 to 200°C).; DH
267.3303.Ferry and Thomas, 1933T = 303 to 393 K.; DH
251.0283.8Huffman, Parks, et al., 1931crystaline, I phase; T = 92 to 304 K. Value is unsmoothed experimental datum.; DH

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

1,3,4,5-Tetramethyl-2-methylenebicyclo[3.1.0]hex-3-ene = Benzene, pentamethyl-

By formula: C11H16 = C11H16

Quantity Value Units Method Reference Comment
Deltar-136. ± 3.kJ/molCisoChilds and Mulholland, 1983liquid phase

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction 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]

Parks, West, et al., 1946
Parks, G.S.; West, T.J.; Naylor, B.F.; Fujii, P.S.; McClaine, L.A., Thermal data on organic compounds. XXIII. Modern combustion data for fourteen hydrocarbons and five polyhydroxy alcohols, J. Am. Chem. Soc., 1946, 68, 2524-2527. [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]

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]

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]

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]

Childs and Mulholland, 1983
Childs, R.F.; Mulholland, D.L., Thermochemical relationships between some bicyclohexenyl and benzenium cations, J. Am. Chem. Soc., 1983, 105, 96-99. [all data]


Notes

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