Chemical Properties of Ethylbenzene (CAS 100-41-4)

Ethylbenzene

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InChI
InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChI Key
YNQLUTRBYVCPMQ-UHFFFAOYSA-N
Formula
C8H10
SMILES
CCc1ccccc1
Molecular Weight1
106.17
CAS
100-41-4
Other Names
  • Aethylbenzol
  • Benzene, ethyl-
  • EB
  • Ethylbenzeen
  • Ethylbenzol
  • Etilbenzene
  • Etylobenzen
  • NCI-C56393
  • NSC 406903
  • Phenylethane
  • UN 1175
  • «alpha»-Methyltoluene
Sources

Physical Properties

Property Value Unit Source
PAff 788.00 kJ/mol NIST
PAff 789.90 kJ/mol NIST
BasG 760.30 kJ/mol NIST
BasG 760.20 kJ/mol NIST
Δcliquid [-4584.00; -4557.60] kJ/mol Show Hide
Δcliquid -4562.40 ± 1.00 kJ/mol NIST
Δcliquid -4564.87 ± 0.71 kJ/mol NIST
Δcliquid -4566.40 kJ/mol NIST
Δcliquid -4557.60 kJ/mol NIST
Δcliquid -4565.90 kJ/mol NIST
Δcliquid Outlier -4584.00 kJ/mol NIST
Δf 128.89 kJ/mol Joback Calculated Property
Δfgas 29.80 ± 0.84 kJ/mol NIST
Δfgas 49.00 ± 4.00 kJ/mol NIST
Δfgas 69.30 kJ/mol NIST
Δfliquid -12.50 ± 0.84 kJ/mol NIST
Δfliquid 6.80 ± 4.00 kJ/mol NIST
Δfliquid 27.00 kJ/mol NIST
Δfus 10.52 kJ/mol Joback Calculated Property
Δvap [36.00; 42.40] kJ/mol Show Hide
Δvap 42.26 kJ/mol NIST
Δvap 42.40 ± 0.10 kJ/mol NIST
Δvap 42.30 kJ/mol NIST
Δvap 42.20 ± 0.10 kJ/mol NIST
Δvap 42.24 kJ/mol NIST
Δvap 42.30 kJ/mol NIST
Δvap Outlier 36.00 ± 0.20 kJ/mol NIST
IE [8.61; 9.38] eV Show Hide
IE 8.77 ± 0.01 eV NIST
IE 8.77 eV NIST
IE 8.61 eV NIST
IE 8.65 ± 0.10 eV NIST
IE 8.76 eV NIST
IE 8.77 ± 0.01 eV NIST
IE 8.75 ± 0.05 eV NIST
IE 8.76 ± 0.01 eV NIST
IE 8.77 ± 0.01 eV NIST
IE 8.77 eV NIST
IE 8.73 eV NIST
IE Outlier 9.38 eV NIST
logPoct/wat 2.249 Crippen Calculated Property
Pc [3608.80; 3740.00] kPa Show Hide
Pc 3609.00 ± 10.00 kPa NIST
Pc 3608.80 ± 5.00 kPa NIST
Pc 3649.00 ± 6.89 kPa NIST
Pc 3619.00 ± 41.37 kPa NIST
Pc 3609.00 ± 0.10 kPa NIST
Pc Outlier 3740.00 ± 7.84 kPa NIST
gas 360.60 ± 0.50 J/mol×K NIST
liquid 255.01 J/mol×K NIST
liquid 256.10 J/mol×K NIST
Tboil [136.00; 429.60] K Show Hide
Tboil 409.15 ± 0.20 K NIST
Tboil 409.40 K NIST
Tboil 409.35 ± 0.13 K NIST
Tboil 409.35 ± 0.30 K NIST
Tboil 409.35 ± 0.10 K NIST
Tboil 409.35 ± 0.10 K NIST
Tboil 409.30 K NIST
Tboil 409.35 ± 0.30 K NIST
Tboil 409.00 ± 0.30 K NIST
Tboil 409.33 ± 0.20 K NIST
Tboil 409.35 K NIST
Tboil 409.33 ± 0.20 K NIST
Tboil 409.35 ± 0.20 K NIST
Tboil 409.30 ± 0.20 K NIST
Tboil 409.25 ± 0.30 K NIST
Tboil 409.30 ± 0.20 K NIST
Tboil 409.40 ± 0.60 K NIST
Tboil 409.45 ± 0.30 K NIST
Tboil 409.34 ± 0.30 K NIST
Tboil 409.50 ± 0.30 K NIST
Tboil 411.90 ± 2.00 K NIST
Tboil 409.35 ± 0.30 K NIST
Tboil 409.35 ± 0.25 K NIST
Tboil 409.35 ± 0.30 K NIST
Tboil 409.33 ± 0.30 K NIST
Tboil 409.45 ± 0.40 K NIST
Tboil 408.15 ± 2.00 K NIST
Tboil 409.33 ± 0.25 K NIST
Tboil 408.15 ± 1.50 K NIST
Tboil 409.00 ± 4.00 K NIST
Tboil 409.00 ± 4.00 K NIST
Tboil 409.00 ± 4.00 K NIST
Tboil 409.20 ± 0.50 K NIST
Tboil Outlier 136.10 ± 0.30 K NIST
Tboil Outlier 136.40 ± 0.40 K NIST
Tboil 407.00 ± 3.00 K NIST
Tboil 409.40 ± 0.50 K NIST
Tboil 408.15 ± 2.00 K NIST
Tboil 409.50 ± 0.50 K NIST
Tboil 409.33 ± 0.02 K NIST
Tboil 410.00 ± 2.00 K NIST
Tboil 409.15 ± 1.00 K NIST
Tboil 409.00 ± 2.00 K NIST
Tboil 409.40 ± 0.50 K NIST
Tboil 409.35 ± 0.50 K NIST
Tboil 409.33 ± 0.10 K NIST
Tboil 408.70 ± 0.40 K NIST
Tboil 409.40 ± 0.15 K NIST
Tboil 409.30 ± 0.40 K NIST
Tboil 409.30 ± 0.30 K NIST
Tboil 409.33 ± 0.01 K NIST
Tboil 409.40 ± 0.20 K NIST
Tboil 409.45 ± 0.50 K NIST
Tboil 409.70 ± 0.30 K NIST
Tboil 409.34 ± 0.06 K NIST
Tboil 409.10 ± 0.30 K NIST
Tboil 409.55 ± 0.30 K NIST
Tboil 409.30 ± 0.20 K NIST
Tboil 409.15 ± 1.00 K NIST
Tboil 429.60 K NIST
Tboil 409.65 ± 0.30 K NIST
Tboil 409.47 ± 0.10 K NIST
Tboil 409.30 ± 0.30 K NIST
Tboil 409.00 ± 4.00 K NIST
Tboil 408.15 ± 1.50 K NIST
Tboil 409.15 ± 2.00 K NIST
Tboil 409.25 ± 0.70 K NIST
Tboil 409.30 ± 0.10 K NIST
Tboil 408.15 ± 1.50 K NIST
Tboil 409.25 ± 0.50 K NIST
Tboil 409.15 ± 1.50 K NIST
Tboil 408.95 ± 1.00 K NIST
Tboil 409.20 ± 0.15 K NIST
Tboil 409.15 ± 1.00 K NIST
Tboil 409.55 ± 0.70 K NIST
Tboil 409.30 ± 0.30 K NIST
Tboil 409.30 ± 0.50 K NIST
Tboil 409.30 ± 0.50 K NIST
Tboil 409.25 ± 0.30 K NIST
Tboil 409.30 ± 0.25 K NIST
Tboil 408.65 ± 2.00 K NIST
Tboil 409.15 ± 2.00 K NIST
Tboil 409.00 ± 2.00 K NIST
Tboil Outlier 136.00 ± 0.50 K NIST
Tboil 409.20 ± 0.25 K NIST
Tboil 408.00 ± 4.00 K NIST
Tboil 408.70 ± 1.50 K NIST
Tboil 409.50 ± 0.30 K NIST
Tboil 409.00 ± 2.00 K NIST
Tboil 407.65 ± 2.00 K NIST
Tboil 409.15 ± 2.00 K NIST
Tboil 409.30 ± 0.20 K NIST
Tboil 409.00 ± 2.00 K NIST
Tboil 408.80 ± 0.50 K NIST
Tboil 412.45 ± 0.50 K NIST
Tboil 407.00 ± 2.00 K NIST
Tboil 409.10 ± 1.50 K NIST
Tc [616.80; 619.60] K Show Hide
Tc 617.20 ± 0.10 K NIST
Tc 617.20 ± 0.10 K NIST
Tc 617.10 K NIST
Tc 616.80 ± 0.50 K NIST
Tc 618.20 ± 0.70 K NIST
Tc 616.80 ± 0.50 K NIST
Tc 617.07 ± 0.10 K NIST
Tc 617.12 ± 0.20 K NIST
Tc 617.20 ± 0.40 K NIST
Tc Outlier 619.60 ± 2.00 K NIST
Tfus [171.90; 181.15] K Show Hide
Tfus 178.15 ± 0.20 K NIST
Tfus 178.15 ± 0.20 K NIST
Tfus 178.15 K NIST
Tfus 178.20 ± 2.00 K NIST
Tfus 179.50 ± 0.60 K NIST
Tfus 178.06 ± 0.01 K NIST
Tfus 178.14 ± 0.15 K NIST
Tfus 178.17 ± 0.03 K NIST
Tfus 178.37 ± 0.06 K NIST
Tfus Outlier 171.90 ± 0.50 K NIST
Tfus 181.15 ± 2.00 K NIST
Tfus 178.10 ± 0.60 K NIST
Tfus 177.89 ± 0.15 K NIST
Tfus 178.80 ± 0.50 K NIST
Tfus 180.80 ± 1.00 K NIST
Tfus 179.25 ± 0.40 K NIST
Tfus 179.00 ± 1.00 K NIST
Ttriple 178.15 ± 0.02 K NIST
Ttriple 178.00 ± 0.30 K NIST
Vc 0.374 m3/kg-mol NIST

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [159.24; 214.02] J/mol×K [373.15; 523.15] Show Hide
Plot of Ideal gas heat capacity.
Cp,gas 159.24 ± 0.80 J/mol×K 373.15 NIST
Cp,gas 164.25 ± 0.33 J/mol×K 385.65 NIST
Cp,gas 169.25 ± 0.34 J/mol×K 398.15 NIST
Cp,gas 178.96 ± 0.36 J/mol×K 423.15 NIST
Cp,gas 188.28 ± 0.38 J/mol×K 448.15 NIST
Cp,gas 197.35 ± 0.39 J/mol×K 473.15 NIST
Cp,gas 205.94 ± 0.41 J/mol×K 498.15 NIST
Cp,gas 214.02 ± 0.43 J/mol×K 523.15 NIST
Cp,liquid [161.00; 186.60] J/mol×K [293.31; 303.00] Show Hide
Plot of Liquid phase heat capacity.
Cp,liquid 184.80 J/mol×K 293.31 NIST
Cp,liquid 161.00 J/mol×K 295.0 NIST
Cp,liquid 181.60 J/mol×K 297.4 NIST
Cp,liquid 185.80 J/mol×K 298.0 NIST
Cp,liquid 184.50 J/mol×K 298.0 NIST
Cp,liquid 185.57 J/mol×K 298.15 NIST
Cp,liquid 185.56 J/mol×K 298.15 NIST
Cp,liquid 185.78 J/mol×K 298.15 NIST
Cp,liquid 186.04 J/mol×K 298.15 NIST
Cp,liquid 185.81 J/mol×K 298.15 NIST
Cp,liquid 186.60 J/mol×K 298.15 NIST
Cp,liquid 183.70 J/mol×K 298.5 NIST
Cp,liquid 178.70 J/mol×K 302.7 NIST
Cp,liquid 178.70 J/mol×K 302.8 NIST
Cp,liquid 181.60 J/mol×K 303.0 NIST
η 0.0002312 Pa×s 409.12 Joback Calculated Property
ΔfusH [9.16; 9.18] kJ/mol [178.00; 178.20] Show Hide
Plot of Enthalpy of fusion at a given temperature.
ΔfusH 9.16 kJ/mol 178.0 NIST
ΔfusH 9.18 kJ/mol 178.15 NIST
ΔfusH 9.16 kJ/mol 178.17 NIST
ΔfusH 9.16 kJ/mol 178.2 NIST
ΔfusH 9.16 kJ/mol 178.2 NIST
ΔvapH [35.50; 42.49] kJ/mol [294.01; 583.00] Show Hide
Plot of Enthalpy of vaporization at a given temperature.
ΔvapH 42.49 kJ/mol 294.01 NIST
ΔvapH 40.50 ± 0.10 kJ/mol 328.0 NIST
ΔvapH 39.50 ± 0.10 kJ/mol 343.0 NIST
ΔvapH 38.60 ± 0.10 kJ/mol 358.0 NIST
ΔvapH 41.80 kJ/mol 359.0 NIST
ΔvapH 40.60 kJ/mol 360.0 NIST
ΔvapH 40.00 kJ/mol 370.0 NIST
ΔvapH 35.57 kJ/mol 409.3 NIST
ΔvapH 37.00 kJ/mol 434.0 NIST
ΔvapH 35.80 kJ/mol 505.5 NIST
ΔvapH 35.50 kJ/mol 583.0 NIST
ΔfusS 51.48 J/mol×K 178.0 NIST
ΔfusS 51.54 J/mol×K 178.15 NIST
ΔfusS 51.43 J/mol×K 178.17 NIST
ΔvapS 144.50 J/mol×K 294.01 NIST

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 1
-CH2- 1
-CH3 1
=CH- (ring) 5

Similar Compounds

1-Phenylethyl radical. 1-Ethyl-4-methylbenzene. 1,4-Diethylbenzene. Benzeneethanol. 1-Bromo-2-phenylethane. C6H5(CHC2H5) radical. Benzene, propyl-. Benzene, (1-methylethyl)-. 2-Phenylethylammonium bromide. Benzeneacetaldehyde. 2-Phenylethylammonium chloride. Benzeneethanamine. Benzene, 2-propenyl-. Benzene, (2-chloroethyl)-. Benzene, (2-fluoroethyl)-.

Find more compounds similar to Ethylbenzene.

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