Chemical Properties of Styrene (CAS 100-42-5)

Styrene

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InChI
InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2
InChI Key
PPBRXRYQALVLMV-UHFFFAOYSA-N
Formula
C8H8
SMILES
C=Cc1ccccc1
Molecular Weight1
104.15
CAS
100-42-5
Other Names
  • Annamene
  • Benzene, ethenyl-
  • Benzene, vinyl-
  • Bulstren K-525-19
  • Cinnamene
  • Cinnamenol
  • Cinnaminol
  • Cinnamol
  • Ethenylbenzene
  • Ethylene, phenyl-
  • NCI-C02200
  • NSC 62785
  • Phenethylene
  • Phenylethene
  • Phenylethylene
  • Stirolo
  • Styreen
  • Styren
  • Styrene monomer
  • Styrol
  • Styrol (German)
  • Styrole
  • Styrolene
  • Styropol SO
  • Vinylbenzen
  • Vinylbenzene
  • Vinylbenzene (styrene)
  • Vinylbenzol
  • ethenylbenzene (styrene)
Sources

Physical Properties

Property Value Unit Source
PAff 839.50 kJ/mol NIST
BasG 809.20 kJ/mol NIST
Δcliquid [-4438.35; -4336.70] kJ/mol Show Hide
Δcliquid -4395.63 ± 0.59 kJ/mol NIST
Δcliquid -4394.87 ± 0.84 kJ/mol NIST
Δcliquid -4438.35 ± 0.92 kJ/mol NIST
Δcliquid -4379.80 ± 6.30 kJ/mol NIST
Δcliquid -4399.50 kJ/mol NIST
Δcliquid -4374.40 kJ/mol NIST
Δcliquid -4379.00 kJ/mol NIST
Δcliquid -4431.30 kJ/mol NIST
Δcliquid -4336.70 kJ/mol NIST
Δf 216.73 kJ/mol Joback Calculated Property
Δfgas [-15.10; 151.50] kJ/mol Show Hide
Δfgas 146.90 ± 1.00 kJ/mol NIST
Δfgas 151.50 kJ/mol NIST
Δfgas 131.50 ± 4.00 kJ/mol NIST
Δfgas -15.10 kJ/mol NIST
Δfliquid [-58.60; 108.00] kJ/mol Show Hide
Δfliquid 103.40 ± 0.92 kJ/mol NIST
Δfliquid 108.00 kJ/mol NIST
Δfliquid 87.60 ± 4.00 kJ/mol NIST
Δfliquid -58.60 kJ/mol NIST
Δfus 9.24 kJ/mol Joback Calculated Property
Δvap [43.20; 43.93] kJ/mol Show Hide
Δvap 43.93 ± 0.42 kJ/mol NIST
Δvap 43.90 kJ/mol NIST
Δvap 43.50 ± 0.40 kJ/mol NIST
Δvap 43.50 kJ/mol NIST
Δvap 43.20 kJ/mol NIST
IE [8.20; 8.58] eV Show Hide
IE 8.46 ± 0.00 eV NIST
IE 8.46 ± 0.00 eV NIST
IE 8.47 eV NIST
IE 8.43 eV NIST
IE Outlier 8.20 ± 0.10 eV NIST
IE 8.42 eV NIST
IE 8.40 ± 0.02 eV NIST
IE 8.28 ± 0.04 eV NIST
IE 8.53 eV NIST
IE 8.43 ± 0.01 eV NIST
IE 8.42 eV NIST
IE 8.47 ± 0.02 eV NIST
IE 8.48 eV NIST
IE 8.58 eV NIST
IE 8.50 eV NIST
IE 8.49 eV NIST
IE 8.55 eV NIST
IE 8.55 eV NIST
logPoct/wat 2.330 Crippen Calculated Property
Pc 3843.54 kPa Joback Calculated Property
gas 345.10 ± 2.10 J/mol×K NIST
liquid 240.50 J/mol×K NIST
liquid 237.57 J/mol×K NIST
liquid 237.60 J/mol×K NIST
Tboil [413.15; 420.65] K Show Hide
Tboil 418.40 K NIST
Tboil 418.35 K NIST
Tboil 420.65 ± 5.00 K NIST
Tboil 417.65 ± 5.00 K NIST
Tboil 418.25 ± 1.50 K NIST
Tboil 418.75 ± 0.30 K NIST
Tboil 418.15 ± 1.00 K NIST
Tboil 418.65 ± 2.00 K NIST
Tboil 418.29 ± 0.20 K NIST
Tboil 418.45 ± 0.20 K NIST
Tboil 418.45 ± 0.30 K NIST
Tboil 418.65 ± 1.00 K NIST
Tboil 418.95 ± 0.30 K NIST
Tboil 419.15 ± 1.50 K NIST
Tboil 418.35 ± 0.30 K NIST
Tboil 418.25 ± 0.30 K NIST
Tboil 419.00 ± 0.50 K NIST
Tboil 419.00 ± 0.50 K NIST
Tboil 416.00 ± 4.00 K NIST
Tboil Outlier 413.15 ± 2.00 K NIST
Tc 620.11 K Joback Calculated Property
Tfus [197.55; 242.55] K Show Hide
Tfus 242.55 K NIST
Tfus 242.38 ± 0.40 K NIST
Tfus 242.47 ± 0.15 K NIST
Tfus 242.47 ± 0.20 K NIST
Tfus 242.50 ± 0.20 K NIST
Tfus 242.50 ± 0.20 K NIST
Tfus Outlier 197.55 ± 0.05 K NIST
Tfus 228.15 ± 5.00 K NIST
Tfus 242.25 ± 0.50 K NIST
Tfus 242.55 ± 0.20 K NIST
Tfus 239.85 ± 0.40 K NIST
Ttriple 242.47 ± 0.07 K NIST
Ttriple 242.47 ± 0.10 K NIST
Ttriple 242.47 ± 0.10 K NIST
Vc 0.356 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 151.29 ± 0.76 J/mol×K 373.15 NIST
Cp,liquid [179.90; 235.60] J/mol×K [298.00; 298.50] Show Hide
Plot of Liquid phase heat capacity.
Cp,liquid 235.60 J/mol×K 298.0 NIST
Cp,liquid 183.20 J/mol×K 298.15 NIST
Cp,liquid 182.84 J/mol×K 298.15 NIST
Cp,liquid 182.60 J/mol×K 298.16 NIST
Cp,liquid 179.90 J/mol×K 298.5 NIST
η 0.0002265 Pa×s 405.8 Joback Calculated Property
ΔfusH [10.95; 10.96] kJ/mol [242.27; 242.47] Show Hide
Plot of Enthalpy of fusion at a given temperature.
ΔfusH 10.96 kJ/mol 242.27 NIST
ΔfusH 10.95 kJ/mol 242.27 NIST
ΔfusH 10.96 kJ/mol 242.3 NIST
ΔfusH 10.95 kJ/mol 242.3 NIST
ΔfusH 10.95 kJ/mol 242.47 NIST
ΔfusH 10.95 kJ/mol 242.47 NIST
ΔvapH [40.20; 43.10] kJ/mol [289.50; 376.50] Show Hide
Plot of Enthalpy of vaporization at a given temperature.
ΔvapH 42.50 kJ/mol 289.5 NIST
ΔvapH 42.50 kJ/mol 319.5 NIST
ΔvapH 40.20 kJ/mol 347.5 NIST
ΔvapH 43.10 kJ/mol 360.0 NIST
ΔvapH 41.50 kJ/mol 376.5 NIST
ΔfusS [45.16; 45.32] J/mol×K [242.27; 242.47] Show Hide
ΔfusS 45.32 J/mol×K 242.27 NIST
ΔfusS 45.16 J/mol×K 242.27 NIST
ΔfusS 45.16 J/mol×K 242.47 NIST
ΔfusS 45.20 J/mol×K 242.47 NIST

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 1
=CH2 1
=CH- 1
=CH- (ring) 5

Similar Compounds

Benzene, 1-ethenyl-4-methyl-. Benzene, 1,4-diethenyl-. trans-«beta»-Methylstyrene. Benzene, 1,2-propadienyl-. (Z)-1-Phenylpropene. Benzene, (2-chloroethenyl)-. Benzene, (2-iodoethenyl)-. Benzene, 1-propenyl-. Benzene, (2-chloroethenyl)-, (Z)-. Benzene, (2-bromoethenyl)-. Benzene, 1-ethenyl-3-methyl-. Stilbene. (E)-Stilbene. Benzene, 1-ethenyl-2-methyl-. cis-Stilbene.

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