Chemical Properties of Phenol, 2-(1-methylethyl)- (CAS 88-69-7)

Phenol, 2-(1-methylethyl)-

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InChI
InChI=1S/C9H12O/c1-7(2)8-5-3-4-6-9(8)10/h3-7,10H,1-2H3
InChI Key
CRBJBYGJVIBWIY-UHFFFAOYSA-N
Formula
C9H12O
SMILES
CC(C)c1ccccc1O
Molecular Weight1
136.19
CAS
88-69-7
Other Names
  • 1-Hydroxy-2-isopropylbenzene
  • 2-(1-Methylethyl)phenol
  • 2-Isopropylphenol
  • Isopropylphenol, ortho
  • NSC 5103
  • Phenol, o-isopropyl-
  • Prodox 131
  • o-Cumenol
  • o-Hydroxycumene
  • o-Isopropylphenol
Sources

Physical Properties

Property Value Unit Source
Δcliquid -5022.90 kJ/mol NIST
Δf -19.75 kJ/mol Joback Calculated Property
Δfgas -175.30 ± 2.40 kJ/mol NIST
Δfgas -161.30 kJ/mol NIST
Δfliquid -230.00 kJ/mol NIST
Δfus 15.37 kJ/mol Joback Calculated Property
Δvap 73.01 kJ/mol NIST
Δvap 68.70 kJ/mol NIST
logPoct/wat 2.52 Crippen Calculated Property
Pc 3935.71 kPa Joback Calculated Property
Tboil [486.15; 488.70] K Show Hide
Tboil 486.70 K NIST
Tboil 487.01 ± 0.01 K NIST
Tboil Outlier 488.70 ± 0.80 K NIST
Tboil 486.15 ± 3.00 K NIST
Tboil 487.65 ± 3.00 K NIST
Tboil 486.15 ± 3.00 K NIST
Tboil 486.15 ± 3.00 K NIST
Tboil 486.15 ± 3.00 K NIST
Tboil 486.65 ± 3.00 K NIST
Tc 739.56 K Joback Calculated Property
Tfus [288.65; 290.00] K Show Hide
Tfus 290.00 ± 0.20 K NIST
Tfus 288.65 ± 2.00 K NIST
Tfus 288.65 ± 2.00 K NIST
Tfus 288.65 ± 2.00 K NIST
Vc 0.39 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 267.53 J/mol×K 512.18 Joback Calculated Property
η 0.00 Pa×s 512.18 Joback Calculated Property
ΔvapH [55.10; 63.50] kJ/mol [418.00; 434.00] Show Hide
ΔvapH 57.30 kJ/mol 418.0 NIST
ΔvapH 55.10 kJ/mol 429.5 NIST
ΔvapH 63.50 kJ/mol 434.0 NIST
ΔvapH 56.10 kJ/mol 434.0 NIST

Molecular Descriptors

Joback and Reid Groups
>CH- 1
=C< (ring) 2
-CH3 2
-OH (phenol) 1
=CH- (ring) 4

Similar Compounds

Phenol, 2-(1,1-dimethylethyl)-. Phenol, 5-methyl-2-(1-methylethyl)-. Phenol, 2-ethyl-. Phenol, 2-(1-methylpropyl)-. Phenol, 4-methyl-2-(1-methylethyl)-. Phenol, 2,5-bis(1-methylethyl)-. Phenol, 2,6-bis(1-methylethyl)-. 2-t-Butyl-5-methylphenol. o-Isopropylanisole. t-Butylhydroquinone. Phenol, 2,4-bis(1-methylethyl)-. Thymohydroquinone. Phenol, 2-(1,1-dimethylethyl)-6-methyl-. Phenol, 2-propyl-. Phenol, 2-(1,1-dimethylethyl)-4-methyl-.

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.