Chemical Properties of 2-tert-Butylphenol, pentafluorobenzoyl ester

2-tert-Butylphenol, pentafluorobenzoyl ester

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InChI
InChI=1S/C17H13F5O2/c1-17(2,3)8-6-4-5-7-9(8)24-16(23)10-11(18)13(20)15(22)14(21)12(10)19/h4-7H,1-3H3
InChI Key
PMIQOYCPXYTJMF-UHFFFAOYSA-N
Formula
C17H13F5O2
SMILES
CC(C)(C)c1ccccc1OC(=O)c1c(F)c(F)c(F)c(F)c1F
Molecular Weight1
344.28
Sources

Physical Properties

Property Value Unit Source
Δf -945.83 kJ/mol Joback Calculated Property
Δfgas -1224.07 kJ/mol Joback Calculated Property
Δfus 36.31 kJ/mol Joback Calculated Property
Δvap 65.74 kJ/mol Joback Calculated Property
logPoct/wat 4.90 Crippen Calculated Property
Pc 1682.41 kPa Joback Calculated Property
Tboil 741.01 K Joback Calculated Property
Tc 942.96 K Joback Calculated Property
Tfus 486.84 K Joback Calculated Property
Vc 0.87 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 607.86 J/mol×K 741.01 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-F 5
=CH- (ring) 4
=C< (ring) 8
>C< 1
-CH3 3
>C=O (nonring) 1

Similar Compounds

2-Isopropylphenol, pentafluorobenzoyl ester. 2-tert-Butyl-4-methylphenol, pentafluorobenzoyl ester. 2-Ethylphenol, pentafluorobenzoyl ester. 2,6-Di-isopropylphenol, pentafluorobenzoyl ester. 2-Methylphenol, pentafluorobenzoyl ester. 2,4,6-Trimethylphenol, pentafluorobenzoyl ester. 2,3-Dimethylphenol, pentafluorobenzoyl ester. 4-tert-Butylphenol, pentafluorobenzoyl ester. 3-Isopropylphenol, pentafluorobenzoyl ester. 4(1,1-Dimethylpropyl)phenol, pentafluorobenzoyl ester. 3-Ethylphenol, pentafluorobenzoyl ester. 4(1,1-Dimethylpentyl)phenol, pentafluorobenzoyl ester. 4-n-Butylphenol, pentafluorobenzoyl ester. 4-n-Pentylphenol, pentafluorobenzoyl ester. 3,5-Dimethylphenol, pentafluorobenzoyl ester.

Find more compounds similar to 2-tert-Butylphenol, pentafluorobenzoyl ester.

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