Chemical Properties of 2-Isopropyl-6-tert-butylphenol (CAS 22791-95-3)

2-Isopropyl-6-tert-butylphenol

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InChI
InChI=1S/C13H20O/c1-9(2)10-7-6-8-11(12(10)14)13(3,4)5/h6-9,14H,1-5H3
InChI Key
LBLLGKZRDSWOJS-UHFFFAOYSA-N
Formula
C13H20O
SMILES
CC(C)c1cccc(C(C)(C)C)c1O
Molecular Weight1
192.30
CAS
22791-95-3
Other Names
  • 2-Isopropyl-6-tert-butylphenol
  • 2-tert-Butyl-6-isopropylphenol
Sources

Physical Properties

Property Value Unit Source
Δcliquid -7644.00 kJ/mol NIST
Δf 7.14 kJ/mol Joback Calculated Property
Δfgas -241.00 kJ/mol NIST
Δfliquid -330.00 kJ/mol NIST
Δfus 17.92 kJ/mol Joback Calculated Property
Δvap 90.17 kJ/mol NIST
Δvap 89.00 kJ/mol NIST
logPoct/wat 3.81 Crippen Calculated Property
Pc 2566.29 kPa Joback Calculated Property
Tboil 605.45 K Joback Calculated Property
Tc 831.25 K Joback Calculated Property
Tfus 374.35 K Joback Calculated Property
Vc 0.60 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 457.90 J/mol×K 605.45 Joback Calculated Property
η 0.00 Pa×s 605.45 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
=CH- (ring) 3
=C< (ring) 3
>C< 1
-CH3 5
-OH (phenol) 1

Similar Compounds

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

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