Chemical Properties of Phenol, 4-(1,1-dimethylethyl)-2-methyl- (CAS 98-27-1)

Phenol, 4-(1,1-dimethylethyl)-2-methyl-

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InChI
InChI=1S/C11H16O/c1-8-7-9(11(2,3)4)5-6-10(8)12/h5-7,12H,1-4H3
InChI Key
SNKLPZOJLXDZCW-UHFFFAOYSA-N
Formula
C11H16O
SMILES
Cc1cc(C(C)(C)C)ccc1O
Molecular Weight1
164.24
CAS
98-27-1
Other Names
  • 2-Methyl-4-tert-butylphenol
  • 4-tert-Butyl-2-Methylphenol
  • 4-tert-Butyl-o-Cresol
  • Phenol, 4-tert-butyl-2-methyl-
  • o-Cresol, 4-tert-butyl-
  • p-tert-Butyl-o-cresol
Sources

Physical Properties

Property Value Unit Source
Δf -7.26 kJ/mol Joback Calculated Property
Δfgas -231.37 kJ/mol Joback Calculated Property
Δfus 16.27 kJ/mol Joback Calculated Property
Δvap 72.10 ± 0.60 kJ/mol NIST
logPoct/wat 3.00 Crippen Calculated Property
Pc 3121.00 kPa Joback Calculated Property
Tboil 560.13 K Joback Calculated Property
Tc 789.71 K Joback Calculated Property
Tfus 366.81 K Joback Calculated Property
Vc 0.50 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 360.74 J/mol×K 560.13 Joback Calculated Property
η 0.00 Pa×s 560.13 Joback Calculated Property
ΔvapH [46.70; 75.70] kJ/mol [286.00; 439.50] Show Hide
Plot of Enthalpy of vaporization at a given temperature.
ΔvapH 75.70 kJ/mol 286.0 NIST
ΔvapH 71.30 ± 0.60 kJ/mol 312.0 NIST
ΔvapH 61.50 kJ/mol 433.5 NIST
ΔvapH 55.70 kJ/mol 439.5 NIST
ΔvapH 53.90 kJ/mol 439.5 NIST
ΔvapH 53.20 kJ/mol 439.5 NIST
ΔvapH 50.90 kJ/mol 439.5 NIST
ΔvapH 46.70 kJ/mol 439.5 NIST

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 3
-CH3 4
>C< 1
-OH (phenol) 1
=CH- (ring) 3

Similar Compounds

4-Isopropyl-2-methylphenol. Phenol, 4-isopropyl-2-methyl (Isocarvacrol). Phenol, 2,4-bis(1,1-dimethylethyl)-. Phenol, 4-ethyl-2-methyl-. Phenol, 2-(1,1-dimethylethyl)-4-methyl-. Phenol, 2,4-bis(1-methylethyl)-. Phenol, 4-methyl-2-(1-methylethyl)-. Benzaldehyde, 2-hydroxy, 5-(t-butyl). 2,4-Di-t-butyl-6-methylphenol. Phenol, 2,4,6-tris(1,1-dimethylethyl)-. Phenol, 2,6-bis(1,1-dimethylethyl)-4-ethyl-. 6-Tert-butyl-2,4-xylenol. Phenol, 2,4,6-tris(1-methylethyl)-. 2-Methyl-4-propylphenol. Butylated hydroxytoluene.

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