Chemical Properties of Benzene, (1-methylethyl)- (CAS 98-82-8)

Benzene, (1-methylethyl)-

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InChI
InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3
InChI Key
RWGFKTVRMDUZSP-UHFFFAOYSA-N
Formula
C9H12
SMILES
CC(C)c1ccccc1
Molecular Weight1
120.19
CAS
98-82-8
Other Names
  • (1-Methylethyl)benzene
  • (1-methylethyl)benzene (cumene)
  • (Methylethyl)benzene
  • 2-Fenilpropano
  • 2-Fenyl-propaan
  • 2-Phenylpropane
  • Benzene, i-propyl-
  • Benzene, isopropyl-
  • Cumeen
  • Cumene
  • Cumol
  • Isopropilbenzene
  • Isopropylbenzeen
  • Isopropylbenzene
  • Isopropylbenzol
  • NSC 8776
  • Propane, 2-phenyl-
  • Rcra waste number U055
  • UN 1918
  • i-Propylbenzene
  • iso-propylbenzene (cumene)
Sources

Physical Properties

Property Value Unit Source
PAff 791.60 kJ/mol NIST
BasG 763.90 kJ/mol NIST
Δcliquid -5215.44 ± 0.96 kJ/mol NIST
Δcliquid -5218.60 kJ/mol NIST
Δf 134.87 kJ/mol Joback Calculated Property
Δfgas 3.90 ± 1.10 kJ/mol NIST
Δfliquid -41.20 ± 1.10 kJ/mol NIST
Δfus 9.58 kJ/mol Joback Calculated Property
Δvap [37.00; 45.15] kJ/mol Show Hide
Δvap 45.15 kJ/mol NIST
Δvap 45.10 kJ/mol NIST
Δvap 45.10 ± 0.10 kJ/mol NIST
Δvap 44.00 kJ/mol NIST
Δvap 45.10 kJ/mol NIST
Δvap Outlier 37.00 kJ/mol NIST
Δvap 45.10 kJ/mol NIST
Δvap 45.14 kJ/mol NIST
Δvap 45.10 kJ/mol NIST
IE [8.69; 8.98] eV Show Hide
IE 8.73 ± 0.02 eV NIST
IE 8.72 eV NIST
IE 8.72 ± 0.01 eV NIST
IE 8.69 ± 0.01 eV NIST
IE 8.76 eV NIST
IE 8.71 eV NIST
IE 8.75 eV NIST
IE Outlier 8.98 eV NIST
logPoct/wat 2.810 Crippen Calculated Property
Pc [2786.44; 3210.00] kPa Show Hide
Pc 3210.00 ± 40.00 kPa NIST
Pc 3209.00 ± 6.00 kPa NIST
Pc 2786.44 ± 151.99 kPa NIST
Pc 3160.00 ± 5.88 kPa NIST
gas 386.53 J/mol×K NIST
liquid 277.57 J/mol×K NIST
Tboil [152.40; 428.30] K Show Hide
Tboil 425.54 ± 0.15 K NIST
Tboil 425.54 ± 0.20 K NIST
Tboil 425.60 K NIST
Tboil Outlier 152.40 ± 0.30 K NIST
Tboil 405.20 ± 0.40 K NIST
Tboil 408.15 ± 6.00 K NIST
Tboil 425.55 ± 0.20 K NIST
Tboil 424.35 ± 0.40 K NIST
Tboil 425.00 ± 2.00 K NIST
Tboil 424.00 ± 3.00 K NIST
Tboil 424.75 ± 0.40 K NIST
Tboil 425.00 ± 3.00 K NIST
Tboil 425.60 ± 0.70 K NIST
Tboil 424.00 ± 3.00 K NIST
Tboil 425.60 ± 0.30 K NIST
Tboil 425.60 ± 0.25 K NIST
Tboil 425.00 ± 2.00 K NIST
Tboil 425.00 ± 3.00 K NIST
Tboil 426.00 ± 5.00 K NIST
Tboil 425.00 ± 2.00 K NIST
Tboil 425.59 ± 0.30 K NIST
Tboil 424.00 ± 2.00 K NIST
Tboil 423.00 ± 2.00 K NIST
Tboil 424.90 ± 0.70 K NIST
Tboil 425.00 ± 4.00 K NIST
Tboil 425.60 ± 0.60 K NIST
Tboil 425.54 ± 0.03 K NIST
Tboil 423.00 ± 4.00 K NIST
Tboil 425.65 ± 2.00 K NIST
Tboil 425.57 ± 0.20 K NIST
Tboil 425.45 ± 0.30 K NIST
Tboil 424.00 ± 4.00 K NIST
Tboil 425.55 ± 0.30 K NIST
Tboil 425.45 ± 0.02 K NIST
Tboil 425.57 ± 0.15 K NIST
Tboil 424.00 ± 3.00 K NIST
Tboil 426.00 ± 3.00 K NIST
Tboil 427.90 ± 0.30 K NIST
Tboil 425.55 ± 0.07 K NIST
Tboil 425.00 ± 3.00 K NIST
Tboil 425.60 ± 0.20 K NIST
Tboil 425.54 ± 0.06 K NIST
Tboil Outlier 273.15 ± 1.50 K NIST
Tboil 425.45 ± 0.20 K NIST
Tboil 425.75 ± 0.25 K NIST
Tboil 426.00 ± 3.00 K NIST
Tboil 424.15 ± 1.50 K NIST
Tboil 425.55 ± 0.20 K NIST
Tboil 425.54 ± 0.06 K NIST
Tboil 425.53 ± 0.06 K NIST
Tboil 425.00 ± 3.00 K NIST
Tboil 425.05 ± 0.50 K NIST
Tboil 424.00 ± 3.00 K NIST
Tboil 426.00 ± 4.00 K NIST
Tboil 425.65 ± 2.00 K NIST
Tboil 424.00 ± 3.00 K NIST
Tboil 425.15 ± 0.60 K NIST
Tboil 425.67 ± 0.20 K NIST
Tboil 428.30 ± 3.00 K NIST
Tboil 426.30 ± 1.00 K NIST
Tboil 426.00 ± 3.00 K NIST
Tboil 425.00 ± 2.00 K NIST
Tboil 426.10 ± 0.50 K NIST
Tboil 426.00 ± 2.00 K NIST
Tc [624.55; 635.90] K Show Hide
Tc 631.00 ± 0.50 K NIST
Tc 631.10 ± 0.15 K NIST
Tc 624.55 ± 2.00 K NIST
Tc 635.90 ± 4.00 K NIST
Tfus [176.47; 177.95] K Show Hide
Tfus 177.11 ± 0.30 K NIST
Tfus 176.69 ± 0.40 K NIST
Tfus 177.10 ± 0.02 K NIST
Tfus 177.13 ± 0.07 K NIST
Tfus 176.47 ± 0.50 K NIST
Tfus 177.18 ± 0.20 K NIST
Tfus Outlier 177.95 ± 0.40 K NIST
Tfus 176.69 ± 0.20 K NIST
Tfus 176.95 ± 0.30 K NIST
Tfus 177.05 ± 0.30 K NIST
Tfus 176.69 ± 0.15 K NIST
Tfus 176.90 ± 0.06 K NIST
Tfus 176.99 ± 0.04 K NIST
Ttriple 177.13 ± 0.01 K NIST
Vc 0.425 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 214.82 J/mol×K 431.56 Joback Calculated Property
Cp,liquid [198.70; 215.40] J/mol×K [295.96; 302.00] Show Hide
Plot of Liquid phase heat capacity.
Cp,liquid 214.40 J/mol×K 295.96 NIST
Cp,liquid 213.00 J/mol×K 298.0 NIST
Cp,liquid 215.40 J/mol×K 298.15 NIST
Cp,liquid 209.41 J/mol×K 299.8 NIST
Cp,liquid 198.70 J/mol×K 302.0 NIST
Cp,liquid 198.70 J/mol×K 302.0 NIST
η 0.0002216 Pa×s 431.56 Joback Calculated Property
ΔfusH 7.32 kJ/mol 177.1 NIST
ΔfusH 7.32 kJ/mol 177.1 NIST
ΔfusH 7.33 kJ/mol 177.13 NIST
ΔvapH 41.90 kJ/mol 384.5 NIST
ΔvapH 42.10 kJ/mol 386.0 NIST
ΔvapH 41.20 kJ/mol 387.5 NIST
ΔfusS 41.37 J/mol×K 177.1 NIST
ΔfusS 41.36 J/mol×K 177.13 NIST

Molecular Descriptors

Joback and Reid Groups
>CH- 1
=C< (ring) 1
-CH3 2
=CH- (ring) 5

Similar Compounds

Benzene, tert-butyl-. p-Cymene. Benzene, 1,4-bis(1-methylethyl)-. 1-Ethyl-4-isopropylbenzene. 1-Phenylethyl radical. Ethylbenzene. 4-Tert-butyltoluene. Benzene, (2-bromo-1-methylethyl)-. Benzene, 1,4-bis(1,1-dimethylethyl)-. Benzene, 1-(1,1-dimethylethyl)-4-ethyl-. 1-Tert-butyl-4-isopropylbenzene. Benzene, (1-methylpropyl)-, (S)-. Benzene, (1-methylpropyl)-. Benzene, cyclopropyl-. Benzeneethanol, .beta.-methyl-.

Find more compounds similar to Benzene, (1-methylethyl)-.

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