Styrene

Formula: C₈H₈
Molecular weight: 104.1491
IUPAC Standard InChI: InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2
IUPAC Standard InChIKey: PPBRXRYQALVLMV-UHFFFAOYSA-N
CAS Registry Number: 100-42-5
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.
Other names: Benzene, ethenyl-; Bulstren K-525-19; Cinnamene; Phenethylene; Phenylethene; Phenylethylene; Styrol (German); Styrole; Styrolene; Styropol SO; Vinylbenzene; Vinylbenzol; Ethenylbenzene; Cinnaminol; Cinnamol; Styrol; Benzene, vinyl-; Cinnamenol; Ethylene, phenyl-; NCI-C02200; Stirolo; Styreen; Styren; Styrene monomer; Vinylbenzen; Annamene; NSC 62785; ethenylbenzene (styrene); Vinylbenzene (styrene)
Permanent link for this species. Use this link for bookmarking this species for future reference.
Information on this page:
Other data available:
Data at other public NIST sites:
Options:
- Switch to SI units

Data at NIST subscription sites:

NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.

Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, References, Notes

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
Δ_fH°_gas	35.11 ± 0.24	kcal/mol	Ccb	Prosen and Rossini, 1945	ALS
Δ_fH°_gas	36.21	kcal/mol	N/A	Landrieu, Baylocq, et al., 1929	Value computed using Δ_fH_liquid° value of 108.0 kj/mol from Landrieu, Baylocq, et al., 1929 and Δ_vapH° value of 43.5 kj/mol from Prosen and Rossini, 1945.; DRB
Δ_fH°_gas	31.43 ± 0.96	kcal/mol	Ccb	N/A	Value computed using Δ_fH_liquid° from missing citation and Δ_vapH° value of 10.5 kcal/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
Δ_fH°_gas	-3.61	kcal/mol	N/A	Moureu and Andre, 1914	Value computed using Δ_fH_liquid° value of -58.6 kj/mol from Moureu and Andre, 1914 and Δ_vapH° value of 43.5 kj/mol from Prosen and Rossini, 1945.; DRB
Quantity	Value	Units	Method	Reference	Comment
S°_gas	82.48 ± 0.50	cal/mol*K	N/A	Pitzer K.S., 1946	S(298.16 K)=343.38 J/mol*K was obtained from earlier experimental data [ Guttman L., 1943].; GT

Constant pressure heat capacity of gas

C_p,gas (cal/mol*K)	Temperature (K)	Reference	Comment
36.16 ± 0.18	373.15	Scott R.B., 1945	GT

Constant pressure heat capacity of gas

C_p,gas (cal/mol*K)	Temperature (K)	Reference	Comment
10.94	50.	Thermodynamics Research Center, 1997	p=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
12.95	100.
15.73	150.
19.54	200.
26.298	273.15
28.726	298.15
28.905	300.
38.191	400.
46.030	500.
52.34	600.
57.46	700.
61.66	800.
65.20	900.
68.16	1000.
70.70	1100.
72.87	1200.
74.74	1300.
76.34	1400.
77.72	1500.

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, References, Notes

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
Δ_fH°_liquid	24.72 ± 0.22	kcal/mol	Ccb	Prosen and Rossini, 1945	ALS
Δ_fH°_liquid	25.8	kcal/mol	Ccb	Landrieu, Baylocq, et al., 1929	ALS
Δ_fH°_liquid	20.9 ± 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
Δ_fH°_liquid	-14.0	kcal/mol	Ccb	Moureu and Andre, 1914	ALS
Quantity	Value	Units	Method	Reference	Comment
Δ_cH°_liquid	-1050. ± 10.	kcal/mol	AVG	N/A	Average of 9 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
S°_liquid	57.48	cal/mol*K	N/A	Warfield and Petree, 1961	DH
S°_liquid	56.781	cal/mol*K	N/A	Pitzer, Guttman, et al., 1946, 2	DH
S°_liquid	56.79	cal/mol*K	N/A	Guttman and Westrum, 1943	DH

Constant pressure heat capacity of liquid

C_p,liquid (cal/mol*K)	Temperature (K)	Reference	Comment
43.79	298.15	Lebedev, Lebedev, et al., 1985	DH
43.64	298.16	Warfield and Petree, 1961	T = 10 to 300 K.; DH
56.31	298.	Kurbatov, 1950	T = 21 to 139 C.; DH
43.700	298.15	Pitzer, Guttman, et al., 1946, 2	T = 15 to 300 K.; DH
43.00	298.5	Smith and Andrews, 1931	T = 102 to 299 K. Value is unsmoothed experimental datum.; DH

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Notes

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]

Notes

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

Symbols used in this document:

C_p,gas	Constant pressure heat capacity of gas
C_p,liquid	Constant pressure heat capacity of liquid
S°_gas	Entropy of gas at standard conditions
S°_liquid	Entropy of liquid at standard conditions
Δ_cH°_liquid	Enthalpy of combustion of liquid at standard conditions
Δ_fH°_gas	Enthalpy of formation of gas at standard conditions
Δ_fH°_liquid	Enthalpy of formation of liquid at standard conditions

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
Customer support for NIST Standard Reference Data products.