Chemical Properties of Phenol, 2-(1,1-dimethylethyl)-4-methyl- (CAS 2409-55-4)

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

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InChI
InChI=1S/C11H16O/c1-8-5-6-10(12)9(7-8)11(2,3)4/h5-7,12H,1-4H3
InChI Key
IKEHOXWJQXIQAG-UHFFFAOYSA-N
Formula
C11H16O
SMILES
Cc1ccc(O)c(C(C)(C)C)c1
Molecular Weight1
164.24
CAS
2409-55-4
Other Names
  • 1-Hydroxy-2-tert-butyl-4-methylbenzene
  • 2-(1,1'-dimethylethyl)-4-methylphenol
  • 2-(1,1-Dimethylethyl)-4-methyl-phenol
  • 2-Terc.butyl-p-kresol
  • 2-t-Butyl-4-methylphenol
  • 2-t-Butyl-p-cresol
  • 2-tert-Butyl-4-Methylphenol
  • 2-tert-Butyl-4-cresol
  • 2-tert-Butyl-4-methyl-1-phenol
  • 2-tert-Butyl-p-Cresol
  • 4-Methyl-2-(1,1-dimethylethyl)phenol
  • 4-Methyl-2-tert-butylphenol
  • 4-Methyl-6-t-butylphenol
  • NSC 60301
  • o-tert-Butyl-p-cresol
  • p-Cresol, 2-tert-butyl-
Sources

Physical Properties

Property Value Unit Source
Δf -7.26 kJ/mol Joback Calculated Property
Δfgas -207.00 ± 3.20 kJ/mol NIST
Δfus 16.27 kJ/mol Joback Calculated Property
Δsub 82.90 ± 0.50 kJ/mol NIST
Δvap 65.70 ± 0.30 kJ/mol NIST
logPoct/wat 3.00 Crippen Calculated Property
Pc 3121.00 kPa Joback Calculated Property
Tboil 510.20 K NIST
Tc 789.71 K Joback Calculated Property
Tfus 325.16 ± 0.30 K NIST
Tfus 325.45 ± 0.20 K NIST
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
ΔsubH 77.40 kJ/mol 284.0 NIST
ΔsubH 82.60 ± 0.50 kJ/mol 303.0 NIST
ΔvapH [48.50; 63.00] kJ/mol [342.50; 451.00] Show Hide
Plot of Enthalpy of vaporization at a given temperature.
ΔvapH 63.00 ± 0.30 kJ/mol 342.5 NIST
ΔvapH 57.70 kJ/mol 425.0 NIST
ΔvapH 55.70 kJ/mol 425.0 NIST
ΔvapH 52.60 kJ/mol 425.0 NIST
ΔvapH 48.50 kJ/mol 425.0 NIST
ΔvapH 58.90 kJ/mol 451.0 NIST

Molecular Descriptors

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

Similar Compounds

Phenol, 2,4-bis(1,1-dimethylethyl)-. 6-Tert-butyl-2,4-xylenol. Phenol, 4-methyl-2-(1-methylethyl)-. Butylated hydroxytoluene. Phenol, 2,6-bis(1,1-dimethylethyl)-4-ethyl-. 2,4-Di-t-butyl-6-methylphenol. Phenol, 2,4,6-tris(1,1-dimethylethyl)-. Phenol, 2,4-bis(1-methylethyl)-. Phenol, 2-(1,1-dimethylethyl)-6-methyl-. 2-Isopropyl-6-tert-butylphenol. Phenol, 2,6-bis(1,1-dimethylethyl)-. Phenol, 4-(1,1-dimethylethyl)-2-methyl-. Phenol, 2,4,6-tris(1-methylethyl)-. Phenol, 2-(1,1-dimethylethyl)-. BENZOIC ALDEHYDE, 3,5-DI-t-BUTYL-4-HYDROXY-.

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