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Styrene

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), 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
Deltafgas146.9 ± 1.0kJ/molCcbProsen and Rossini, 1945ALS
Deltafgas151.5kJ/molN/ALandrieu, Baylocq, et al., 1929Value computed using «DELTA»fHliquid° value of 108.0 kj/mol from Landrieu, Baylocq, et al., 1929 and «DELTA»vapH° value of 43.5 kj/mol from Prosen and Rossini, 1945.; DRB
Deltafgas131.5 ± 4.0kJ/molCcbN/AValue computed using «DELTA»fHliquid° from missing citation and «DELTA»vapH° value of 43.9 kJ/mol from Pitzer, Guttman, et al., 1946. recalculated with modern CO2,H2O thermo; estimated uncertainty (NOTE all values in source also have wrong sign); DRB
Deltafgas-15.1kJ/molN/AMoureu and Andre, 1914Value computed using «DELTA»fHliquid° value of -58.6 kj/mol from Moureu and Andre, 1914 and «DELTA»vapH° value of 43.5 kj/mol from Prosen and Rossini, 1945.; DRB
Quantity Value Units Method Reference Comment
gas345.1 ± 2.1J/mol*KN/APitzer K.S., 1946S(298.16 K)=343.38 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
151.29 ± 0.76373.15Scott R.B., 1945GT

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
45.7650.Thermodynamics Research Center, 1997p=1 bar. Recommended values agree with other statistically calculated values of S(T) and Cp(T) [ Beckett C.W., 1946] within 0.8 and 1.9 J/mol*K, respectively.; GT
54.19100.
65.81150.
81.77200.
110.03273.15
120.19298.15
120.94300.
159.79400.
192.59500.
219.0600.
240.4700.
258.0800.
272.8900.
285.21000.
295.81100.
304.91200.
312.71300.
319.41400.
325.21500.

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), 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
Deltafliquid103.4 ± 0.92kJ/molCcbProsen and Rossini, 1945ALS
Deltafliquid108.kJ/molCcbLandrieu, Baylocq, et al., 1929ALS
Deltafliquid87.6 ± 4.0kJ/molCcbN/Arecalculated with modern CO2,H2O thermo; estimated uncertainty (NOTE all values in source also have wrong sign); DRB
Deltafliquid-58.6kJ/molCcbMoureu and Andre, 1914ALS
Quantity Value Units Method Reference Comment
Deltacliquid-4390. ± 60.kJ/molAVGN/AAverage of 9 values; Individual data points
Quantity Value Units Method Reference Comment
liquid240.5J/mol*KN/AWarfield and Petree, 1961DH
liquid237.57J/mol*KN/APitzer, Guttman, et al., 1946, 2DH
liquid237.6J/mol*KN/AGuttman and Westrum, 1943DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
183.2298.15Lebedev, Lebedev, et al., 1985DH
182.6298.16Warfield and Petree, 1961T = 10 to 300 K.; DH
235.6298.Kurbatov, 1950T = 21 to 139 C.; DH
182.84298.15Pitzer, Guttman, et al., 1946, 2T = 15 to 300 K.; DH
179.9298.5Smith and Andrews, 1931T = 102 to 299 K. Value is unsmoothed experimental datum.; DH

Phase change 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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Kenneth Kroenlein director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
DRB - Donald R. Burgess, Jr.
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil419. ± 2.KAVGN/AAverage of 19 out of 20 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus241. ± 8.KAVGN/AAverage of 10 out of 11 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple242.47KN/APitzer, Guttman, et al., 1946, 3Uncertainty assigned by TRC = 0.07 K; TRC
Ttriple242.47KN/AGuttman, Westrum, et al., 1943Uncertainty assigned by TRC = 0.1 K; TRC
Ttriple242.47KN/AGuttman, 1943Uncertainty assigned by TRC = 0.1 K; temperature scale based on To = 273.16 K; TRC
Quantity Value Units Method Reference Comment
Deltavap43.93 ± 0.42kJ/molVPitzer, Guttman, et al., 1946ALS
Deltavap43.9kJ/molN/APitzer, Guttman, et al., 1946, 2Based on data from 285. - 333. K.; AC
Deltavap43.5 ± 0.4kJ/molN/APitzer, Guttman, et al., 1946, 2AC
Deltavap43.5kJ/molN/AProsen and Rossini, 1945DRB
Deltavap43.2kJ/molN/APatnode and Scheiber, 1939Based on data from 245. - 357. K.; AC

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
42.5260.AStephenson and Malanowski, 1987Based on data from 245. - 334. K.; AC
41.5349.AStephenson and Malanowski, 1987Based on data from 334. - 419. K.; AC
42.5319.N/AChaiyavech and Van Winkle, 1959Based on data from 306. - 333. K.; AC
43.1318.N/ADreyer, Martin, et al., 1955Based on data from 303. - 417. K.; AC
40.2348.N/ABurchfield, 1942Based on data from 306. - 389. K.; AC

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
305.6 - 355.344.05931459.909-59.551Chaiyavech and Van Winkle, 1959Coefficents calculated by NIST from author's data.
303.07 - 417.924.219481525.059-56.379Dreyer, Martin, et al., 1955Coefficents calculated by NIST from author's data.

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
10.964242.27Warfield and Petree, 1961DH
10.949242.27Pitzer, Guttman, et al., 1946, 2DH
10.950242.47Guttman and Westrum, 1943DH
10.950242.47Lebedev, Lebedev, et al., 1985DH
10.96242.3Domalski and Hearing, 1996AC

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
45.32242.27Warfield and Petree, 1961DH
45.16242.27Pitzer, Guttman, et al., 1946, 2DH
45.16242.47Guttman and Westrum, 1943DH
45.2242.47Lebedev, Lebedev, et al., 1985DH

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:


Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), 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:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
ALS - 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

styrenide anion + Hydrogen cation = Styrene

By formula: C8H7- + H+ = C8H8

Quantity Value Units Method Reference Comment
Deltar1636. ± 10.kJ/molTDEqMeot-ner and Kafafi, 1988gas phase; Acid: styrene. AM1 says ortho deprotonation prefered to alpha. Anchored to 88MEO scale.; B
Quantity Value Units Method Reference Comment
Deltar1604. ± 8.4kJ/molTDEqMeot-ner and Kafafi, 1988gas phase; Acid: styrene. AM1 says ortho deprotonation prefered to alpha. Anchored to 88MEO scale.; B

C3H9Si+ + Styrene = (C3H9Si+ bullet Styrene)

By formula: C3H9Si+ + C8H8 = (C3H9Si+ bullet C8H8)

Quantity Value Units Method Reference Comment
Deltar153.kJ/molPHPMSLi and Stone, 1989gas phase; condensation; M
Quantity Value Units Method Reference Comment
Deltar177.J/mol*KPHPMSLi and Stone, 1989gas phase; condensation; M

Styrene + 4Hydrogen = Cyclohexane, ethyl-

By formula: C8H8 + 4H2 = C8H16

Quantity Value Units Method Reference Comment
Deltar-320.1 ± 1.0kJ/molChydDolliver, Gresham, et al., 1937gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -324.2 ± 0.84 kJ/mol; At 355 °K; ALS

(CAS Reg. No. 13822-53-2 bullet 4294967295Styrene) + Styrene = CAS Reg. No. 13822-53-2

By formula: (CAS Reg. No. 13822-53-2 bullet 4294967295C8H8) + C8H8 = CAS Reg. No. 13822-53-2

Quantity Value Units Method Reference Comment
Deltar205. ± 9.2kJ/molN/ABartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B

Styrene + Hydrogen = Ethylbenzene

By formula: C8H8 + H2 = C8H10

Quantity Value Units Method Reference Comment
Deltar-117.2 ± 1.7kJ/molChydAbboud, Jimenez, et al., 1995liquid phase; solvent: Hydrocarbon; Like gas phase; ALS

Styrene + Hydrogen chloride = Benzene, (1-chloroethyl)-

By formula: C8H8 + HCl = C8H9Cl

Quantity Value Units Method Reference Comment
Deltar-55.6 ± 7.1kJ/molCmNesterova, Kovzel, et al., 1977liquid phase; Hydrochlorination; ALS

Hydrogen bromide + Styrene = Benzene, (1-bromoethyl)-

By formula: HBr + C8H8 = C8H9Br

Quantity Value Units Method Reference Comment
Deltar-69.0 ± 7.1kJ/molCmNesterova, Kovzel, et al., 1977liquid phase; Hydrobromination; ALS

1,3,5,7-Cyclooctatetraene = Styrene

By formula: C8H8 = C8H8

Quantity Value Units Method Reference Comment
Deltar-143.7 ± 1.4kJ/molCisoProsen, Johnson, et al., 1947liquid phase; ALS

Ethylbenzene = Styrene + Hydrogen

By formula: C8H10 = C8H8 + H2

Quantity Value Units Method Reference Comment
Deltar124.85kJ/molEqkGhosh, Ram Das Guha, et al., 1945gas phase; ALS

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), References, Notes

Data compiled by: Coblentz Society, Inc.

Data compiled by: Tanya L. Myers, Russell G. Tonkyn, Ashley M. Oeck, Tyler O. Danby, John S. Loring, Matthew S. Taubman, Stephen W. Sharpe, Jerome C. Birnbaum, and Timothy J. Johnson


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction 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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Mass spectrum
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Additional Data

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin NIST Mass Spectrometry Data Center, 1998.
NIST MS number 290820

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), Notes

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

Prosen and Rossini, 1945
Prosen, E.J.; Rossini, F.D., Heats of formation and combustion of 1,3-butadiene and styrene, J. Res. NBS, 1945, 34, 59-63. [all data]

Landrieu, Baylocq, et al., 1929
Landrieu, P.; Baylocq, F.; Johnson, J.R., Etude thermochimique dans la serie furanique, Bull. Soc. Chim. France, 1929, 45, 36-49. [all data]

Pitzer, Guttman, et al., 1946
Pitzer, K.S.; Guttman, L.; Westrum, E.F., Jr., The heat capacity, heats of fusion and vaporization, vapor pressure, entropy, vibration frequencies and barrier to internal rotation of styrene, J. Am. Chem. Soc., 1946, 68, 2209-22. [all data]

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

Pitzer K.S., 1946
Pitzer K.S., Jr., The heat capacity, heats of fusion and vaporization, vapor pressure, entropy, vibrational frequencies, and barrier to internal rotation of styrene, J. Am. Chem. Soc., 1946, 68, 2209-2212. [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]

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]

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]

Beckett C.W., 1946
Beckett C.W., The thermodynamics of styrene and its methyl derivatives, J. Am. Chem. Soc., 1946, 68, 2213-2214. [all data]

Warfield and Petree, 1961
Warfield, R.W.; Petree, M.C., Thermodynamic properties of polystyrene and styrene, J. Polymer Sci., 1961, 55, 497-505. [all data]

Pitzer, Guttman, et al., 1946, 2
Pitzer, K.S.; Guttman, L.; Westrum, E.F., Jr., The heat capacity, heats of fusion and vaporization, vapor pressure, entropy vibration frequencies and barrier to internal rotation of styrene, J. Am. Chem. Soc., 1946, 68, 2209-2212. [all data]

Guttman and Westrum, 1943
Guttman, L.; Westrum, E.F., Jr., and Pitzer, K.S., The thermodynamics of styrene (phenylethylene), including equilibrium of formation from ethylbenzene, J. Am. Chem. Soc., 1943, 65, 1246-1247. [all data]

Lebedev, Lebedev, et al., 1985
Lebedev, B.V.; Lebedev, N.K.; Smirnova, N.N.; Kozyreva, N.M.; Kirillin, A.I.; Korshak, V.V., The isotope effect in the thermodynamic parameters of polymerization of styrene, Dokl. Akad. Nauk, 1985, SSSR 281, 379-383. [all data]

Kurbatov, 1950
Kurbatov, V.Ya., Specific heats of liquids. III. Specific heat of hydrocarbons with several noncondensed rings, Zhur. Obshch. Khim., 1950, 20, 1139-1144. [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]

Pitzer, Guttman, et al., 1946, 3
Pitzer, K.S.; Guttman, L.; Westrum, E.F., The Heat Capacity, Heats of Fusion and Vaporization, Vapor Pressure Entropy, Vib. Frequencies, and Barrier to Internal Rotation of Styrene, J. Am. Chem. Soc., 1946, 68, 2209. [all data]

Guttman, Westrum, et al., 1943
Guttman, L.; Westrum, E.F.; Pitzer, K.S., The Thermodynamics of Styrene (Phenylethylene) Including the Equilibrium Formation from Ethylbenzene, J. Am. Chem. Soc., 1943, 65, 1246. [all data]

Guttman, 1943
Guttman, L., , Ph.D. Thesis, Univ. Calif., Berkeley, 1943. [all data]

Patnode and Scheiber, 1939
Patnode, Winton.; Scheiber, W.J., The Density, Thermal Expansion, Vapor Pressure, and Refractive Index of Styrene, and the Density and Thermal Expansion of Polystyrene, J. Am. Chem. Soc., 1939, 61, 12, 3449-3451, https://doi.org/10.1021/ja01267a066 . [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]

Chaiyavech and Van Winkle, 1959
Chaiyavech, Pramote; Van Winkle, Matthew, Styrene-Ethylbenzene Vapor-Liquid Equilibria at Reduced Pressures., J. Chem. Eng. Data, 1959, 4, 1, 53-56, https://doi.org/10.1021/je60001a008 . [all data]

Dreyer, Martin, et al., 1955
Dreyer, R.; Martin, W.; von Weber, U., Die S«65533»ttigungsdampfdrucke von Benzol, Toluol, «65533»thylbenzol, Styrol, Cumol und Brombenzol zwischen 10 und 760 Torr, J. Prakt. Chem., 1955, 1, 5-6, 324-328, https://doi.org/10.1002/prac.19550010508 . [all data]

Burchfield, 1942
Burchfield, P.E., Vapor Pressures of Indene, Styrene and Dicyclopentadiene, J. Am. Chem. Soc., 1942, 64, 10, 2501-2501, https://doi.org/10.1021/ja01262a504 . [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]

Meot-ner and Kafafi, 1988
Meot-ner, M.; Kafafi, S.A., Carbon Acidities of Aromatic Compounds, J. Am. Chem. Soc., 1988, 110, 19, 6297, https://doi.org/10.1021/ja00227a003 . [all data]

Li and Stone, 1989
Li, X.; Stone, J.A., Determination of the beta silicon effect from a mass spectrometric study of the association of trimethylsilylium ion with alkenes, J. Am. Chem. Soc., 1989, 111, 15, 5586, https://doi.org/10.1021/ja00197a013 . [all data]

Dolliver, Gresham, et al., 1937
Dolliver, M.a.; Gresham, T.L.; Kistiakowsky, G.B.; Vaughan, W.E., Heats of organic reactions. V. Heats of hydrogenation of various hydrocarbons, J. Am. Chem. Soc., 1937, 59, 831-841. [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]

Bartmess, Scott, et al., 1979
Bartmess, J.E.; Scott, J.A.; McIver, R.T., Jr., The gas phase acidity scale from methanol to phenol, J. Am. Chem. Soc., 1979, 101, 6047. [all data]

Abboud, Jimenez, et al., 1995
Abboud, J.-L.M.; Jimenez, P.; Roux, M.V.; Turrion, C.; Lopez-Mardomingo, C.; Podosenin, A.; Rogers, D.W.; Liebman, J.F., Interrelations of the energetics of amides and alkenes: enthalpies of formation of N,N-dimethyl dertivatives of pivalamide, 1-adamantylcarboxamide and benzamide, and of styrene and its a-, trans-«beta»- and «beta»,«beta»-methylated derivates, J. Phys. Org. Chem., 1995, 8, 15-25. [all data]

Nesterova, Kovzel, et al., 1977
Nesterova, T.N.; Kovzel, E.N.; Karaseva, S.Ya.; Rozhnov, A.M., Heats of reaction of the hydrohalogenation of styrene and «alpha»-methylstyrene, Vses. Konf. Kalorim. Rasshir. Tezisy Dokl. 7th, 1977, 1, 132. [all data]

Prosen, Johnson, et al., 1947
Prosen, E.J.; Johnson, W.H.; Rossini, F.D., Heat of combustion and formation of 1,3,5,7-cyclooctatetraene and its heat of isomerization to styrene, J. Am. Chem. Soc., 1947, 69, 2068-2069. [all data]

Ghosh, Ram Das Guha, et al., 1945
Ghosh, J.C.; Ram Das Guha, S.; Roy, A.N., Chemical equilibrium in styrene formation from ethyl-benzene at low pressures, Curr. Sci., 1945, 14, 269. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), References