Chemical Properties of 2,4,6-Trimethylphenol, pentafluorobenzoyl ester

2,4,6-Trimethylphenol, pentafluorobenzoyl ester

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InChI
InChI=1S/C16H11F5O2/c1-6-4-7(2)15(8(3)5-6)23-16(22)9-10(17)12(19)14(21)13(20)11(9)18/h4-5H,1-3H3
InChI Key
GGJGIIHZEAAWPT-UHFFFAOYSA-N
Formula
C16H11F5O2
SMILES
Cc1cc(C)c(OC(=O)c2c(F)c(F)c(F)c(F)c2F)c(C)c1
Molecular Weight1
330.25
Sources

Physical Properties

Property Value Unit Source
Δf -976.35 kJ/mol Joback Calculated Property
Δfgas -1217.62 kJ/mol Joback Calculated Property
Δfus 40.35 kJ/mol Joback Calculated Property
Δvap 66.13 kJ/mol Joback Calculated Property
logPoct/wat 4.53 Crippen Calculated Property
Pc 1749.21 kPa Joback Calculated Property
Tboil 731.32 K Joback Calculated Property
Tc 928.38 K Joback Calculated Property
Tfus 498.19 K Joback Calculated Property
Vc 0.83 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 549.91 J/mol×K 731.32 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-F 5
=CH- (ring) 2
=C< (ring) 10
>C=O (nonring) 1
-CH3 3

Similar Compounds

2-Methylphenol, pentafluorobenzoyl ester. 2,3-Dimethylphenol, pentafluorobenzoyl ester. 2-Ethylphenol, pentafluorobenzoyl ester. 2-Isopropylphenol, pentafluorobenzoyl ester. 2-tert-Butyl-4-methylphenol, pentafluorobenzoyl ester. 2,6-Di-isopropylphenol, pentafluorobenzoyl ester. 3,5-Dimethylphenol, pentafluorobenzoyl ester. 2-tert-Butylphenol, pentafluorobenzoyl ester. 4-tert-Butylphenol, pentafluorobenzoyl ester. 4-n-Butylphenol, pentafluorobenzoyl ester. 4-n-Pentylphenol, pentafluorobenzoyl ester. 3-Ethylphenol, pentafluorobenzoyl ester. 4-n-Octylphenol, pentafluorobenzoyl ester. 4-n-Nonylphenol, pentafluorobenzoyl ester. 2,3,4-Trifluorobenzoic acid, 4-cyanophenyl ester.

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