Chemical Properties of 2-t-Butyl-5-methylphenol (CAS 88-60-8)

2-t-Butyl-5-methylphenol

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InChI
InChI=1S/C11H16O/c1-8-5-6-9(10(12)7-8)11(2,3)4/h5-7,12H,1-4H3
InChI Key
XOUQAVYLRNOXDO-UHFFFAOYSA-N
Formula
C11H16O
SMILES
Cc1ccc(C(C)(C)C)c(O)c1
Molecular Weight1
164.24
CAS
88-60-8
Other Names
  • 2-t-Butyl-5-methylphenol
  • 2-tert-Butyl-5-Methylphenol
  • 3-Methyl-6-tert-butylphenol
  • 5-Methyl-2-(1,1-dimethylethyl)-phenol
  • 6-tert-Butyl-3-Methylphenol
  • 6-tert-Butyl-m-Cresol
  • m-Cresol, 6-tert-butyl-
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
Δsub 79.70 ± 1.30 kJ/mol NIST
Δvap 67.20 ± 0.30 kJ/mol NIST
logPoct/wat 3.00 Crippen Calculated Property
Pc 3121.00 kPa Joback Calculated Property
Tboil 390.70 K NIST
Tboil 400.20 K NIST
Tc 789.71 K Joback Calculated Property
Tfus 294.20 ± 0.50 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 80.40 ± 1.30 kJ/mol 285.5 NIST
ΔvapH 65.90 ± 0.30 kJ/mol 319.5 NIST
ΔvapH 59.80 kJ/mol 434.0 NIST
ΔvapH 53.00 kJ/mol 450.5 NIST

Molecular Descriptors

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

Similar Compounds

Phenol, 2,5-bis(1,1-dimethylethyl)-. Phenol, 5-methyl-2-(1-methylethyl)-. 1,4-Benzenediol, 2,5-bis(1,1-dimethylethyl)-. Phenol, 2,5-bis(1-methylethyl)-. Phenol, 2-(1,1-dimethylethyl)-. Thymohydroquinone. t-Butylhydroquinone. Benzene, 1-(1,1-dimethylethyl)-2-methoxy-4-methyl-. Phenol, 2-ethyl-5-methyl-. Phenol, 2-methyl-5-(1-methylethyl)-. Phenol, 2-(1-methylethyl)-. 2,5-DIETHYLPHENOL. Phenol, 2-(1,1-dimethylethyl)-4-methyl-. Benzene, 2-methoxy-4-methyl-1-(1-methylethyl)-. Phenol, 2-(1,1-dimethylethyl)-6-methyl-.

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