Chemical Properties of 4-Isopropyl-2-methylphenol (CAS 1740-97-2)

4-Isopropyl-2-methylphenol

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InChI
InChI=1S/C10H14O/c1-7(2)9-4-5-10(11)8(3)6-9/h4-7,11H,1-3H3
InChI Key
WYXXLXHHWYNKJF-UHFFFAOYSA-N
Formula
C10H14O
SMILES
Cc1cc(C(C)C)ccc1O
Molecular Weight1
150.22
CAS
1740-97-2
Other Names
  • 4-isopropyl-m-cresol
  • Isocarvacrol
  • Phenol, 2-methyl-4-(1-methylethyl)-
Sources

Physical Properties

Property Value Unit Source
Δcliquid -5653.00 kJ/mol NIST
Δcliquid -5640.00 ± 10.00 kJ/mol NIST
Δf -20.96 kJ/mol Joback Calculated Property
Δfgas -206.80 kJ/mol NIST
Δfliquid -280.00 kJ/mol NIST
Δfus 17.57 kJ/mol Joback Calculated Property
Δvap 77.74 kJ/mol NIST
Δvap 73.20 kJ/mol NIST
Δvap 56.00 ± 3.00 kJ/mol NIST
logPoct/wat 2.82 Crippen Calculated Property
Pc 3439.94 kPa Joback Calculated Property
Tboil 506.15 ± 4.00 K NIST
Tboil 356.20 K NIST
Tc 764.51 K Joback Calculated Property
Tfus 338.12 K Joback Calculated Property
Vc 0.45 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 311.65 J/mol×K 540.04 Joback Calculated Property
η 0.00 Pa×s 540.04 Joback Calculated Property
ΔvapH 59.80 kJ/mol 442.5 NIST

Molecular Descriptors

Joback and Reid Groups
>CH- 1
=C< (ring) 3
-CH3 3
-OH (phenol) 1
=CH- (ring) 3

Similar Compounds

Phenol, 4-isopropyl-2-methyl (Isocarvacrol). Phenol, 4-(1,1-dimethylethyl)-2-methyl-. Phenol, 4-ethyl-2-methyl-. Phenol, 2,4-bis(1-methylethyl)-. Phenol, 4-methyl-2-(1-methylethyl)-. Phenol, 2,4-bis(1,1-dimethylethyl)-. 2-Methyl-4-propylphenol. Phenol, 2,4,6-tris(1-methylethyl)-. Phenol, 2-(1,1-dimethylethyl)-4-methyl-. Phenol, 2-ethyl-4-methyl-. Benzaldehyde, 2-hydroxy, 5-(t-butyl). 2,4-Di-t-butyl-6-methylphenol. Phenol, 2,4,6-tris(1,1-dimethylethyl)-. 4-allyl-2,6-dimethyl-phenol. Phenol, 2,6-bis(1,1-dimethylethyl)-4-ethyl-.

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