Chemical Properties of 3-Fluoro-5-trifluoromethylbenzoic acid, 3-fluorophenyl ester

3-Fluoro-5-trifluoromethylbenzoic acid, 3-fluorophenyl ester

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InChI
InChI=1S/C14H7F5O2/c15-10-2-1-3-12(7-10)21-13(20)8-4-9(14(17,18)19)6-11(16)5-8/h1-7H
InChI Key
WVCHRWJHDOUUDT-UHFFFAOYSA-N
Formula
C14H7F5O2
SMILES
O=C(Oc1cccc(F)c1)c1cc(F)cc(C(F)(F)F)c1
Molecular Weight1
302.20
Sources

Physical Properties

Property Value Unit Source
Δf -942.20 kJ/mol Joback Calculated Property
Δfgas -1127.74 kJ/mol Joback Calculated Property
Δfus 29.70 kJ/mol Joback Calculated Property
Δvap 57.07 kJ/mol Joback Calculated Property
logPoct/wat 4.20 Crippen Calculated Property
Pc 2256.81 kPa Joback Calculated Property
Tboil 657.43 K Joback Calculated Property
Tc 864.10 K Joback Calculated Property
Tfus 415.47 K Joback Calculated Property
Vc 0.71 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 456.51 J/mol×K 657.43 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-F 5
=CH- (ring) 7
=C< (ring) 5
>C< 1
>C=O (nonring) 1

Similar Compounds

3-Fluoro-5-trifluoromethylbenzoic acid, phenyl ester. 3-Fluoro-5-trifluoromethylbenzoic acid, 4-methoxyphenyl ester. 3-Fluoro-5-trifluoromethylbenzoic acid, 3,5-dimethylphenyl ester. 3-Fluoro-5-trifluoromethylbenzoic acid, 4-isopropylphenyl ester. 3-Fluoro-5-trifluoromethylbenzoic acid, 3,4-dimethylphenyl ester. 3-Fluoro-5-trifluoromethylbenzoic acid, 3,4-dichlorophenyl ester. 3-Fluoro-5-trifluoromethylbenzoic acid, 2,3-dichlorophenyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 3-fluorophenyl ester. 3-Trifluoromethylbenzoic acid, phenyl ester. 3-Trifluoromethylbenzoic acid, 4-benzyloxyphenyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 3,5-difluophenyl ester. 3-Trifluoromethylbenzoic acid, 4-chlorophenyl ester. 3-Fluorobenzoic acid, 3,5-difluorophenyl ester. 3-Fluoro-5-trifluoromethylbenzoic acid, 2-biphenyl ester. 2-Fluoro-3-trifluoromethylbenzoic acid, phenyl ester.

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