Chemical Properties of 4-Fluorobenzoic acid, 3,5-dimethylphenyl ester

4-Fluorobenzoic acid, 3,5-dimethylphenyl ester

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InChI
InChI=1S/C15H13FO2/c1-10-7-11(2)9-14(8-10)18-15(17)12-3-5-13(16)6-4-12/h3-9H,1-2H3
InChI Key
PMOQRBKOUUDBLR-UHFFFAOYSA-N
Formula
C15H13FO2
SMILES
Cc1cc(C)cc(OC(=O)c2ccc(F)cc2)c1
Molecular Weight1
244.26
Sources

Physical Properties

Property Value Unit Source
Δf -157.38 kJ/mol Joback Calculated Property
Δfgas -355.19 kJ/mol Joback Calculated Property
Δfus 27.39 kJ/mol Joback Calculated Property
Δvap 63.86 kJ/mol Joback Calculated Property
logPoct/wat 3.66 Crippen Calculated Property
Pc 2402.92 kPa Joback Calculated Property
Tboil 686.46 K Joback Calculated Property
Tc 915.93 K Joback Calculated Property
Tfus 421.96 K Joback Calculated Property
Vc 0.70 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 471.83 J/mol×K 686.46 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-F 1
>C=O (nonring) 1
=CH- (ring) 7
=C< (ring) 5
-CH3 2

Similar Compounds

4-Fluorobenzoic acid, 3-methylphenyl ester. 3-Fluorobenzoic acid, 3,5-dimethylphenyl ester. 3,4-Difluorobenzoic acid, 3,5-dimethylphenyl ester. P-toluic acid, 3,5-dimethylphenyl ester. P-anisic acid, 3,5-dimethylphenyl ester. 4-Fluorobenzoic acid, phenyl ester. Benzoic acid, 3-methylphenyl ester. 3-Fluorobenzoic acid, 3-methylphenyl ester. M-toluic acid, 3,5-dimethylphenyl ester. 3,4-Difluorobenzoic acid, 3-methylphenyl ester. 4-Fluorobenzoic acid, 2,3-dimethylphenyl ester. 4-Chlorobenzoic acid, 3,5-dimethylphenyl ester. Benzoic acid, 4-fluoro-, 4-methoxyphenyl ester. 4-Fluorobenzoic acid, 4-benzyloxyphenyl ester. m-Toluic acid, 3-methylphenyl ester.

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