Ethylbenzene
- Formula: C8H10
- Molecular weight: 106.1650
- IUPAC Standard InChIKey: YNQLUTRBYVCPMQ-UHFFFAOYSA-N
- CAS Registry Number: 100-41-4
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Isotopologues:
- Other names: Benzene, ethyl-; Ethylbenzol; EB; Phenylethane; Aethylbenzol; Ethylbenzeen; Etilbenzene; Etylobenzen; NCI-C56393; UN 1175; α-Methyltoluene; NSC 406903
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Condensed phase thermochemistry data
Go To: Top, Phase change data, IR Spectrum, 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 |
---|---|---|---|---|---|
ΔfH°liquid | -2.98 ± 0.20 | kcal/mol | Ccb | Prosen, Gilmont, et al., 1945 | Hf by Prosen, Johnson, et al., 1946; ALS |
ΔfH°liquid | 1.6 ± 0.96 | kcal/mol | Ccb | N/A | recalculated with modern CO2,H2O thermo; estimated uncertainty (NOTE all values in source also have wrong sign); DRB |
ΔfH°liquid | 6.5 | kcal/mol | Ccb | Moureu and Andre, 1914 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -1092. ± 4. | kcal/mol | AVG | N/A | Average of 6 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 60.949 | cal/mol*K | N/A | Guthrie, Spitzer, et al., 1944 | DH |
S°liquid | 61.21 | cal/mol*K | N/A | Huffman, Parks, et al., 1930 | Extrapolation below 90 K, 61.09 J/mol*K.; DH |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
44.17 | 293.31 | Andolenko and Grigor'ev, 1979 | T = 293 to 393 K. Unsmoothed experimental datum given as 1.741 kJ/kg*K.; DH |
44.3528 | 298.15 | Fortier and Benson, 1979 | DH |
44.3497 | 298.15 | Fortier and Benson, 1977 | DH |
44.402 | 298.15 | Fortier, Benson, et al., 1976 | DH |
38.5 | 295. | Tschamler, 1948 | DH |
44.41 | 298. | Kurbatov, 1947 | T = 15 to 18 C, mean Cp, four temperatures.; DH |
44.465 | 298.15 | Scott and Brickwedde, 1945 | T = 15 to 300 K.; DH |
44.410 | 298.15 | Guthrie, Spitzer, et al., 1944 | T = 13 to 305 K.; DH |
42.71 | 302.8 | de Kolossowsky and Udowenko, 1934 | DH |
42.71 | 302.7 | Kolosovskii and Udovenko, 1934 | DH |
44.60 | 298.15 | Blacet, Leighton, et al., 1931 | T = 286 to 368 K. Heat capacity reported as 0.420 cal g-1 K-1 at 25 C.; DH |
43.91 | 298.5 | Smith and Andrews, 1931 | T = 102 to 299 K. Value is unsmoothed experimental datum.; DH |
43.40 | 297.4 | Huffman, Parks, et al., 1930 | T = 93 to 305 K. Value is unsmoothed experimental datum.; DH |
43.40 | 303. | Willams and Daniels, 1924 | T = 303 to 343 K. Equation only.; DH |
44.10 | 298. | von Reis, 1881 | T = 292 to 425 K.; DH |
Phase change data
Go To: Top, Condensed phase thermochemistry data, IR Spectrum, 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 |
---|---|---|---|---|---|
Tboil | 409.3 ± 0.4 | K | AVG | N/A | Average of 79 out of 96 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 179. ± 2. | K | AVG | N/A | Average of 15 out of 16 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 178.15 | K | N/A | Scott and Brickwedde, 1945, 2 | Uncertainty assigned by TRC = 0.02 K; TRC |
Ttriple | 178. | K | N/A | Huffman, Parks, et al., 1930, 2 | Uncertainty assigned by TRC = 0.3 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 617. ± 2. | K | AVG | N/A | Average of 10 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 35.9 ± 0.9 | atm | AVG | N/A | Average of 6 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Vc | 0.374 | l/mol | N/A | Tsonopoulos and Ambrose, 1995 | |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 2.68 ± 0.010 | mol/l | N/A | Tsonopoulos and Ambrose, 1995 | |
ρc | 2.670 | mol/l | N/A | Simon, 1957 | Uncertainty assigned by TRC = 0.04 mol/l; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 10. ± 1. | kcal/mol | AVG | N/A | Average of 7 values; Individual data points |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
8.501 | 409.3 | N/A | Majer and Svoboda, 1985 | |
10.155 | 294.01 | N/A | Scott and Brickwedde, 1945 | DH |
9.99 | 313. | A | Stephenson and Malanowski, 1987 | Based on data from 298. to 420. K.; AC |
8.84 | 424. | A | Stephenson and Malanowski, 1987 | Based on data from 409. to 459. K.; AC |
8.56 | 472. | A | Stephenson and Malanowski, 1987 | Based on data from 457. to 554. K.; AC |
8.48 | 564. | A | Stephenson and Malanowski, 1987 | Based on data from 549. to 617. K.; AC |
9.70 | 335. | N/A | Paul, Krug, et al., 1986 | Based on data from 320. to 400. K.; AC |
9.68 ± 0.02 | 328. | C | Svoboda, Charvátová, et al., 1982 | AC |
9.44 ± 0.02 | 343. | C | Svoboda, Charvátová, et al., 1982 | AC |
9.23 ± 0.02 | 358. | C | Svoboda, Charvátová, et al., 1982 | AC |
9.56 | 345. | MM | Willingham, Taylor, et al., 1945 | Based 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)
(kcal/mol)
Tr = reduced temperature (T / Tc)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | A (kcal/mol) | β | Tc (K) | Reference | Comment |
---|---|---|---|---|---|
295. to 437. | 13.94 | 0.2823 | 617.1 | Majer and Svoboda, 1985 |
Entropy of vaporization
ΔvapS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
34.54 | 294.01 | Scott and Brickwedde, 1945 | DH |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
420.00 to 600.00 | 4.39965 | 1695.026 | -23.698 | Ambrose, Broderick, et al., 1967 | Coefficents calculated by NIST from author's data. |
329.74 to 410.27 | 4.06917 | 1419.315 | -60.539 | Williamham, Taylor, et al., 1945 |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
2.1945 | 178.15 | Scott and Brickwedde, 1945 | DH |
2.190 | 178.17 | Guthrie, Spitzer, et al., 1944 | DH |
2.19 | 178.2 | Domalski and Hearing, 1996 | AC |
2.190 | 178.0 | Huffman, Parks, et al., 1930 | DH |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
12.32 | 178.15 | Scott and Brickwedde, 1945 | DH |
12.29 | 178.17 | Guthrie, Spitzer, et al., 1944 | DH |
12.30 | 178.0 | Huffman, Parks, et al., 1930 | DH |
IR Spectrum
Go To: Top, Condensed phase thermochemistry data, Phase change data, References, Notes
Data compiled by: Coblentz Society, Inc.
- GAS (10 mmHg, N2 ADDED, TOTAL PRESSURE 600 mmHg); PERKIN-ELMER 180; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 2 cm-1 resolution
- LIQUID (NEAT); PERKIN-ELMER; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm-1 resolution
- SOLUTION (10% IN CCl4 FOR 3800-1300, 10% IN CS2 FOR 1300-650, AND 10% CCl4 FOR 650-240 CM-1) VERSUS SOLVENT; PERKIN-ELMER 521 (GRATING); DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm-1 resolution
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Data compiled by: Pamela M. Chu, Franklin R. Guenther, George C. Rhoderick, and Walter J. Lafferty
- gas; IFS66V (Bruker); 3-Term B-H Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution - gas; IFS66V (Bruker); Boxcar Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution - gas; IFS66V (Bruker); Happ Genzel Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution - gas; IFS66V (Bruker); NB Strong Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution - gas; IFS66V (Bruker); Triangular Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, 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]
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, Condensed phase thermochemistry data, Phase change data, IR Spectrum, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid Pc Critical pressure S°liquid Entropy of liquid at standard conditions Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature Vc Critical volume ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions ΔvapS Entropy of vaporization ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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