Chemical Properties of 2,3-Dimethylphenol, pentafluorobenzoyl ester

2,3-Dimethylphenol, pentafluorobenzoyl ester

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InChI
InChI=1S/C15H9F5O2/c1-6-4-3-5-8(7(6)2)22-15(21)9-10(16)12(18)14(20)13(19)11(9)17/h3-5H,1-2H3
InChI Key
AFSWCWLWXSWWLK-UHFFFAOYSA-N
Formula
C15H9F5O2
SMILES
Cc1cccc(OC(=O)c2c(F)c(F)c(F)c(F)c2F)c1C
Molecular Weight1
316.22
Other Names
  • 2,3-Dimethylphenol, pentafluorobenzoyl ester
Sources

Physical Properties

Property Value Unit Source
Δf -975.14 kJ/mol Joback Calculated Property
Δfgas -1185.51 kJ/mol Joback Calculated Property
Δfus 38.15 kJ/mol Joback Calculated Property
Δvap 63.24 kJ/mol Joback Calculated Property
logPoct/wat 4.22 Crippen Calculated Property
Pc 1923.67 kPa Joback Calculated Property
Tboil 703.46 K Joback Calculated Property
Tc 901.36 K Joback Calculated Property
Tfus 474.40 K Joback Calculated Property
Vc 0.77 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 499.10 J/mol×K 703.46 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-F 5
=CH- (ring) 3
=C< (ring) 9
>C=O (nonring) 1
-CH3 2

Similar Compounds

2-Methylphenol, pentafluorobenzoyl ester. 2,4,6-Trimethylphenol, pentafluorobenzoyl ester. 3,5-Dimethylphenol, pentafluorobenzoyl ester. 2-Ethylphenol, pentafluorobenzoyl ester. 2,4-Difluorobenzoic acid, 2,3-dimethylphenyl ester. 2-Isopropylphenol, pentafluorobenzoyl ester. 3-Ethylphenol, pentafluorobenzoyl ester. 2-tert-Butylphenol, pentafluorobenzoyl ester. 2,6-Di-isopropylphenol, pentafluorobenzoyl ester. 3-Isopropylphenol, pentafluorobenzoyl ester. 2-tert-Butyl-4-methylphenol, pentafluorobenzoyl ester. 2-Fluorobenzoic acid, 2,3-dimethylphenyl ester. 4-tert-Butylphenol, pentafluorobenzoyl ester. 4-n-Butylphenol, pentafluorobenzoyl ester. 4-n-Pentylphenol, pentafluorobenzoyl ester.

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