Chemical Properties of 4-(3-Hexyl)phenol (CAS 6925-42-4)

4-(3-Hexyl)phenol

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InChI
InChI=1S/C12H18O/c1-3-5-10(4-2)11-6-8-12(13)9-7-11/h6-10,13H,3-5H2,1-2H3
InChI Key
AFXYCMIKKCWXCT-UHFFFAOYSA-N
Formula
C12H18O
SMILES
CCCC(CC)c1ccc(O)cc1
Molecular Weight1
178.27
CAS
6925-42-4
Sources

Physical Properties

Property Value Unit Source
Δf 5.51 kJ/mol Joback Calculated Property
Δfgas -237.07 kJ/mol Joback Calculated Property
Δfus 23.14 kJ/mol Joback Calculated Property
Δvap 57.21 kJ/mol Joback Calculated Property
logPoct/wat 3.69 Crippen Calculated Property
Pc 2823.32 kPa Joback Calculated Property
Tboil 580.82 K Joback Calculated Property
Tc 796.40 K Joback Calculated Property
Tfus 348.14 K Joback Calculated Property
Vc 0.56 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 405.71 J/mol×K 580.82 Joback Calculated Property
η 0.00 Pa×s 580.82 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
=CH- (ring) 4
=C< (ring) 2
-CH2- 3
-CH3 2
-OH (phenol) 1

Similar Compounds

P-sec-amyl phenol. Phenol, 4-(1-butylpentyl). Phenol, 4-cyclohexyl-. Phenol, 4-(1-propylhexyl). Phenol, 4-cyclopentyl-. Phenol, 4-(1-ethylheptyl). 4-(3-Decyl)phenol. Phenol, 4-[3-methyl-1-(2-methylpropyl)butyl]. Phenol, 4-(4-methyl-1-propylpentyl). Phenol, 4-(1-ethyl-5-methylhexyl). 4-(3-Pentyl)phenol. Phenol, 4-(1-methyloctyl). Phenol, 4-(1-ethyl-4,4-dimethylpentyl). Phenol, 4-[1-(2-methylpropyl)pentyl]. Phenol, 4-(1-ethyl-4-methylhexyl).

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