Chemical Properties of Phenol, 2,6-bis(1,1-dimethylpropyl)-4-methyl- (CAS 56103-67-4)

Phenol, 2,6-bis(1,1-dimethylpropyl)-4-methyl-

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InChI
InChI=1S/C17H28O/c1-8-16(4,5)13-10-12(3)11-14(15(13)18)17(6,7)9-2/h10-11,18H,8-9H2,1-7H3
InChI Key
SOASHAVJCWKTKL-UHFFFAOYSA-N
Formula
C17H28O
SMILES
CCC(C)(C)c1cc(C)cc(C(C)(C)CC)c1O
Molecular Weight1
248.40
CAS
56103-67-4
Other Names
  • 2,6-Bis-(1,1-dimethyl-propyl)-4-methyl-phenol
  • 2,6-Di-tert-amyl-4-cresol
  • 4-Methyl-2,6-di-tert-pentylphenol
Sources

Physical Properties

Property Value Unit Source
Δf 36.47 kJ/mol Joback Calculated Property
Δfgas -375.43 kJ/mol Joback Calculated Property
Δfus 24.00 kJ/mol Joback Calculated Property
Δvap 67.46 kJ/mol Joback Calculated Property
logPoct/wat 5.08 Crippen Calculated Property
Pc 1792.42 kPa Joback Calculated Property
Tboil 699.16 K Joback Calculated Property
Tc 918.04 K Joback Calculated Property
Tfus 449.37 K Joback Calculated Property
Vc 0.82 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 670.02 J/mol×K 699.16 Joback Calculated Property
η 0.00 Pa×s 699.16 Joback Calculated Property
ΔvapH 65.90 kJ/mol 497.0 NIST

Molecular Descriptors

Joback and Reid Groups
=CH- (ring) 2
=C< (ring) 4
-CH2- 2
>C< 2
-CH3 7
-OH (phenol) 1

Similar Compounds

Phenol, 2,4-bis(1,1-dimethylpropyl)-. 4-tert-butyl-2-sec-butylphenol. Phenol, 2,4-bis(1-methylpropyl)-. Phenol, 2,6-bis(1-methylpropyl)-. Butylated hydroxytoluene. Phenol, 2,6-bis(1,1-dimethylethyl)-4-ethyl-. Phenol, 2,4,6-tris(1,1-dimethylethyl)-. 2,4-Di-t-butyl-6-methylphenol. 2,4-Bis(1-methylbutyl)phenol. 6-Tert-butyl-2,4-xylenol. 4-sec-Butyl-2-tert-butyl-6-hydroxym ethyl-phenol. 4-METHYL-2-TERT-OCTYLPHENOL. 4-Sec-butyl-2,6-dicyclohexylphenol. Phenol, 2-(1,1-dimethylpropyl)-. Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, methyl ester.

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