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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
Deltafgas7.12 ± 0.20kcal/molCcbProsen, Gilmont, et al., 1945Hf by Prosen, Johnson, et al., 1946; ALS
Deltafgas11.7 ± 0.96kcal/molCcbN/AValue computed using «DELTA»fHliquid° from missing citation and «DELTA»vapH° value of 10.1 kcal/mol from missing citation. recalculated with modern CO2,H2O thermo; estimated uncertainty (NOTE all values in source also have wrong sign); DRB
Deltafgas16.6kcal/molN/AMoureu and Andre, 1914Value computed using «DELTA»fHliquid° value of 27.0 kj/mol from Moureu and Andre, 1914 and «DELTA»vapH° value of 42.3 kj/mol from Prosen, Gilmont, et al., 1945.; DRB
Quantity Value Units Method Reference Comment
gas86.2 ± 0.1cal/mol*KN/AMiller A., 1978S(298.16 K)=361.5 J/mol*K was obtained from earlier experimental data [ Guttman L., 1943].; GT

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
10.6050.Thermodynamics Research Center, 1997Recommended values are in good agreement with other statistically calculated data [ Miller A., 1978, Taylor W.J., 1946].; GT

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
38.06 ± 0.19373.15Hossenlopp I.A., 1981Heat capacities determined from acoustical measurements [ Colgate S.O., 1990] (124.98, 138.21, 158.84, and 173.88 J/mol*K at 298.15, 323.15, 373.15, and 408.15 K, respectively) are slightly lower than calorimetric ones. Please also see Scott R.B., 1945.; GT
39.257 ± 0.079385.65
40.452 ± 0.081398.15
42.772 ± 0.086423.15
45.000 ± 0.091448.15
47.168 ± 0.093473.15
49.221 ± 0.098498.15
51.15 ± 0.10523.15


Go To: Top, Gas phase thermochemistry data, Notes

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

Prosen, Gilmont, et al., 1945
Prosen, E.J.; Gilmont, R.; Rossini, F.D., Heats of combustion of benzene, toluene, ethyl-benzene, o-xylene, m-xylene, p-xylene, n-propylbenzene, and styrene, J. Res. NBS, 1945, 34, 65-70. [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]

Moureu and Andre, 1914
Moureu, C.; Andre, E., Thermochimie des composes acetyleniques, Ann. Chim. Phys., 1914, 1, 113-145. [all data]

Miller A., 1978
Miller A., Chemical thermodynamic properties of ethylbenzene, J. Chem. Phys., 1978, 68, 1317-1319. [all data]

Guttman L., 1943
Guttman L., Jr., The thermodynamics of styrene (phenylethylene), including equilibrium of formation from ethylbenzene, J. Am. Chem. Soc., 1943, 65, 1246-1247. [all data]

Thermodynamics Research Center, 1997
Thermodynamics Research Center, Selected Values of Properties of Chemical Compounds., Thermodynamics Research Center, Texas A&M University, College Station, Texas, 1997. [all data]

Taylor W.J., 1946
Taylor W.J., Heats, equilibrium constants, and free energies of formation of the alkylbenzenes, J. Res. Nat. Bur. Stand., 1946, 37, 95-122. [all data]

Hossenlopp I.A., 1981
Hossenlopp I.A., Vapor heat capacities and enthalpies of vaporization of four aromatic and/or cycloalkane hydrocarbons, J. Chem. Thermodyn., 1981, 13, 423-428. [all data]

Colgate S.O., 1990
Colgate S.O., Acoustical determination of ideal gas heat capacities of three C-8 compounds, Fluid Phase Equilib., 1990, 60, 191-203. [all data]

Scott R.B., 1945
Scott R.B., Specific heats of gaseous 1,3-butadiene, isobutene, styrene, and ethylbenzene, J. Res. Nat. Bur. Stand., 1945, 34, 243-254. [all data]


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