Ethylbenzene

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change 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
DRB - Donald R. Burgess, Jr.
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
Δfgas29.8 ± 0.84kJ/molCcbProsen, Gilmont, et al., 1945Hf by Prosen, Johnson, et al., 1946; ALS
Δfgas49.0 ± 4.0kJ/molCcbN/AValue computed using ΔfHliquid° from missing citation and ΔvapH° value of 42.2 kJ/mol from missing citation. recalculated with modern CO2,H2O thermo; estimated uncertainty (NOTE all values in source also have wrong sign); DRB
Δfgas69.3kJ/molN/AMoureu and Andre, 1914Value computed using ΔfHliquid° value of 27.0 kj/mol from Moureu and Andre, 1914 and ΔvapH° value of 42.3 kj/mol from Prosen, Gilmont, et al., 1945.; DRB
Quantity Value Units Method Reference Comment
gas360.6 ± 0.5J/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 (J/mol*K) Temperature (K) Reference Comment
44.3750.Thermodynamics Research Center, 1997Recommended values are in good agreement with other statistically calculated data [ Miller A., 1978, Taylor W.J., 1946].; GT
57.72100.
72.35150.
88.54200.
116.88273.15
127.40298.15
128.19300.
169.95400.
206.58500.
236.75600.
261.51700.
282.08800.
299.37900.
314.041000.
326.561100.
337.271200.
346.481300.
354.411400.
361.271500.

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
159.24 ± 0.80373.15Hossenlopp 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
164.25 ± 0.33385.65
169.25 ± 0.34398.15
178.96 ± 0.36423.15
188.28 ± 0.38448.15
197.35 ± 0.39473.15
205.94 ± 0.41498.15
214.02 ± 0.43523.15

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change 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
DRB - Donald R. Burgess, Jr.
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Δfliquid-12.5 ± 0.84kJ/molCcbProsen, Gilmont, et al., 1945Hf by Prosen, Johnson, et al., 1946; ALS
Δfliquid6.8 ± 4.0kJ/molCcbN/Arecalculated with modern CO2,H2O thermo; estimated uncertainty (NOTE all values in source also have wrong sign); DRB
Δfliquid27.kJ/molCcbMoureu and Andre, 1914ALS
Quantity Value Units Method Reference Comment
Δcliquid-4567. ± 20.kJ/molAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
liquid255.01J/mol*KN/AGuthrie, Spitzer, et al., 1944DH
liquid256.1J/mol*KN/AHuffman, Parks, et al., 1930Extrapolation below 90 K, 61.09 J/mol*K.; DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
184.8293.31Andolenko and Grigor'ev, 1979T = 293 to 393 K. Unsmoothed experimental datum given as 1.741 kJ/kg*K.; DH
185.572298.15Fortier and Benson, 1979DH
185.559298.15Fortier and Benson, 1977DH
185.78298.15Fortier, Benson, et al., 1976DH
161.295.Tschamler, 1948DH
185.8298.Kurbatov, 1947T = 15 to 18 C, mean Cp, four temperatures.; DH
186.04298.15Scott and Brickwedde, 1945T = 15 to 300 K.; DH
185.81298.15Guthrie, Spitzer, et al., 1944T = 13 to 305 K.; DH
178.7302.8de Kolossowsky and Udowenko, 1934DH
178.7302.7Kolosovskii and Udovenko, 1934DH
186.6298.15Blacet, Leighton, et al., 1931T = 286 to 368 K. Heat capacity reported as 0.420 cal g-1 K-1 at 25 C.; DH
183.7298.5Smith and Andrews, 1931T = 102 to 299 K. Value is unsmoothed experimental datum.; DH
181.6297.4Huffman, Parks, et al., 1930T = 93 to 305 K. Value is unsmoothed experimental datum.; DH
181.6303.Willams and Daniels, 1924T = 303 to 343 K. Equation only.; DH
184.5298.von Reis, 1881T = 292 to 425 K.; DH

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil409.3 ± 0.4KAVGN/AAverage of 79 out of 96 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus179. ± 2.KAVGN/AAverage of 15 out of 16 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple178.15KN/AScott and Brickwedde, 1945, 2Uncertainty assigned by TRC = 0.02 K; TRC
Ttriple178.KN/AHuffman, Parks, et al., 1930, 2Uncertainty assigned by TRC = 0.3 K; TRC
Quantity Value Units Method Reference Comment
Tc617. ± 2.KAVGN/AAverage of 10 values; Individual data points
Quantity Value Units Method Reference Comment
Pc36.4 ± 0.9barAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Vc0.374l/molN/ATsonopoulos and Ambrose, 1995 
Quantity Value Units Method Reference Comment
ρc2.68 ± 0.010mol/lN/ATsonopoulos and Ambrose, 1995 
ρc2.670mol/lN/ASimon, 1957Uncertainty assigned by TRC = 0.04 mol/l; TRC
Quantity Value Units Method Reference Comment
Δvap41. ± 4.kJ/molAVGN/AAverage of 7 values; Individual data points

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
35.57409.3N/AMajer and Svoboda, 1985 
42.490294.01N/AScott and Brickwedde, 1945DH
41.8313.AStephenson and Malanowski, 1987Based on data from 298. to 420. K.; AC
37.0424.AStephenson and Malanowski, 1987Based on data from 409. to 459. K.; AC
35.8472.AStephenson and Malanowski, 1987Based on data from 457. to 554. K.; AC
35.5564.AStephenson and Malanowski, 1987Based on data from 549. to 617. K.; AC
40.6335.N/APaul, Krug, et al., 1986Based on data from 320. to 400. K.; AC
40.5 ± 0.1328.CSvoboda, Charvátová, et al., 1982AC
39.5 ± 0.1343.CSvoboda, Charvátová, et al., 1982AC
38.6 ± 0.1358.CSvoboda, Charvátová, et al., 1982AC
40.0345.MMWillingham, Taylor, et al., 1945Based on data from 330. to 410. K. See also Forziati, Norris, et al., 1949.; AC

Enthalpy of vaporization

ΔvapH = A exp(-βTr) (1 − Tr)β
    ΔvapH = Enthalpy of vaporization (at saturation pressure) (kJ/mol)
    Tr = reduced temperature (T / Tc)

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Temperature (K) A (kJ/mol) β Tc (K) Reference Comment
295. to 437.58.320.2823617.1Majer and Svoboda, 1985 

Entropy of vaporization

ΔvapS (J/mol*K) Temperature (K) Reference Comment
144.5294.01Scott and Brickwedde, 1945DH

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 Comment
420.00 to 600.004.405361695.026-23.698Ambrose, Broderick, et al., 1967Coefficents calculated by NIST from author's data.
329.74 to 410.274.074881419.315-60.539Williamham, Taylor, et al., 1945 

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Reference Comment
9.1818178.15Scott and Brickwedde, 1945DH
9.163178.17Guthrie, Spitzer, et al., 1944DH
9.16178.2Domalski and Hearing, 1996AC
9.163178.0Huffman, Parks, et al., 1930DH

Entropy of fusion

ΔfusS (J/mol*K) Temperature (K) Reference Comment
51.54178.15Scott and Brickwedde, 1945DH
51.43178.17Guthrie, Spitzer, et al., 1944DH
51.48178.0Huffman, Parks, et al., 1930DH

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

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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]

Guthrie, Spitzer, et al., 1944
Guthrie, G.B., Jr.; Spitzer, R.W.; Huffman, H.M., Thermal data. XVIII. The heat capacity, heat of fusion, entropy and free energy of ethylbenzene, J. Am. Chem. Soc., 1944, 66, 2120-2121. [all data]

Huffman, Parks, et al., 1930
Huffman, H.M.; Parks, G.S.; Daniels, A.C., Thermal data on organic compounds. VII. The heat capacities, entropies and free energies of twelve aromatic hydrocarbons, J. Am. Chem. Soc., 1930, 52, 1547-1558. [all data]

Andolenko and Grigor'ev, 1979
Andolenko, R.A.; Grigor'ev, B.A., Investigation of isobaric heat capacity of aromatic hydrocarbons at atmospheric pressure, Iaz. Vyssh. Ucheb. Zaved., Neft i Gaz (11), 1979, 78, 90. [all data]

Fortier and Benson, 1979
Fortier, J.-L.; Benson, G.C., Heat capacities of some binary aromatic hydrocarbon mixtures containing benzene or toluene, J. Chem. Eng. Data, 1979, 24(1), 34-37. [all data]

Fortier and Benson, 1977
Fortier, J.-L.; Benson, G.C., Excess heat capacities of binary mixtures of tetrachloromethane witlh some aromatic liquids at 298.15 K, J. Chem. Thermodynam., 1977, 9, 1181-1188. [all data]

Fortier, Benson, et al., 1976
Fortier, J.-L.; Benson, G.C.; Picker, P., Heat capacities of some organic liquids determined with the Picker flow calorimeter, J. Chem. Thermodynam., 1976, 8, 289-299. [all data]

Tschamler, 1948
Tschamler, H., Uber binare flussige Mischungen I. Mischungswarment, Volumseffekte und Zustandsdiagramme von chlorex mit benzol und n-alkylbenzolen, Monatsh. Chem., 1948, 79, 162-177. [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]

Scott and Brickwedde, 1945
Scott, R.B.; Brickwedde, F.G., Thermodynamic properties of solid and liquid ethylbenzene from 0 to 300K, J. Res., 1945, NBS 35, 501-512. [all data]

de Kolossowsky and Udowenko, 1934
de Kolossowsky, N.; Udowenko, W.W., Determination des chaleurs specifiques des liquides, Compt. rend., 1934, 198, 1394-1395. [all data]

Kolosovskii and Udovenko, 1934
Kolosovskii, N.A.; Udovenko, W.W., Specific heat of liquids. II., Zhur. Obshchei Khim., 1934, 4, 1027-1033. [all data]

Blacet, Leighton, et al., 1931
Blacet, F.E.; Leighton, P.A.; Bartlett, E.P., The specific heats of five pure organic liquids and of ethyl alcohol-water mixtures, J. Phys. Chem., 1931, 35, 1935-1943. [all data]

Smith and Andrews, 1931
Smith, R.H.; Andrews, D.H., Thermal energy studies. I. Phenyl derivatives of methane, ethane and some related compounds. J. Am. Chem. Soc., 1931, 53, 3644-3660. [all data]

Willams and Daniels, 1924
Willams, J.W.; Daniels, F., The specific heats of certain organic liquids at elevated temperatures, J. Am. Chem. Soc., 1924, 46, 903-917. [all data]

von Reis, 1881
von Reis, M.A., Die specifische Wärme flüssiger organischer Verbindungen und ihre Beziehung zu deren Moleculargewicht, Ann. Physik [3], 1881, 13, 447-464. [all data]

Scott and Brickwedde, 1945, 2
Scott, R.B.; Brickwedde, F.G., Thermodynamic Properties of Solid and Liquid Ethylbenzene From 0 to 300 K, J. Res. Natl. Bur. Stand. (U. S.), 1945, 35, 501-12. [all data]

Huffman, Parks, et al., 1930, 2
Huffman, H.M.; Parks, G.S.; Daniels, A.C., Thermal Data on Organic Compounds: VII The Heat Capacities, Entropies and Free Energies of Twelve Aromatic Hydrocarbons, J. Am. Chem. Soc., 1930, 52, 1547-58. [all data]

Tsonopoulos and Ambrose, 1995
Tsonopoulos, C.; Ambrose, D., Vapor-Liquid Critical Properties of Elements and Compounds. 3. Aromatic Hydrocarbons, J. Chem. Eng. Data, 1995, 40, 547-558. [all data]

Simon, 1957
Simon, M., Methods and Apparatus Used at the Bureau of Physicochemical Standards XV. Critical Constants and Straight-Line Diameters of Ten Hydrocarbons, Bull. Soc. Chim. Belg., 1957, 66, 375-81. [all data]

Majer and Svoboda, 1985
Majer, V.; Svoboda, V., Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [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]

Paul, Krug, et al., 1986
Paul, Hanns-Ingolf; Krug, Joseph; Knapp, Helmut, Measurements of VLE, hE and vE for binary mixtures of n-alkanes with n-alkylbenzenes, Thermochimica Acta, 1986, 108, 9-27, https://doi.org/10.1016/0040-6031(86)85073-0 . [all data]

Svoboda, Charvátová, et al., 1982
Svoboda, Václav; Charvátová, Vladimíra; Majer, Vladimír; Hynek, Vladimír, Determination of heats of vaporization and some other thermodynamic properties for four substituted hydrocarbons, Collect. Czech. Chem. Commun., 1982, 47, 2, 543-549, https://doi.org/10.1135/cccc19820543 . [all data]

Willingham, Taylor, et al., 1945
Willingham, C.B.; Taylor, W.J.; Pignocco, J.M.; Rossini, F.D., Vapor pressures and boiling points of some paraffin, alkylcyclopentane, alkylcyclohexane, and alkylbenzene hydrocarbons, J. RES. NATL. BUR. STAN., 1945, 35, 3, 219-17, https://doi.org/10.6028/jres.035.009 . [all data]

Forziati, Norris, et al., 1949
Forziati, Alphonse F.; Norris, William R.; Rossini, Frederick D., Vapor pressures and boiling points of sixty API-NBS hydrocarbons, J. RES. NATL. BUR. STAN., 1949, 43, 6, 555-17, https://doi.org/10.6028/jres.043.050 . [all data]

Ambrose, Broderick, et al., 1967
Ambrose, D.; Broderick, B.E.; Townsend, R., The Vapour Pressures Above the Normal Boiling Point and the Critical Pressures of Some Aromatic Hydrocarbons, J. Chem. Soc. A:, 1967, 633-641, https://doi.org/10.1039/j19670000633 . [all data]

Williamham, Taylor, et al., 1945
Williamham, C.B.; Taylor, W.J.; Pignocco, J.M.; Rossini, F.D., Vapor Pressures and Boiling Points of Some Paraffin, Alkylcyclopentane, Alkylcyclohexane, and Alkylbenzene Hydrocarbons, J. Res. Natl. Bur. Stand. (U.S.), 1945, 35, 3, 219-244, https://doi.org/10.6028/jres.035.009 . [all data]

Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D., Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III, J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985 . [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, References