Chemical Properties of Benzoic acid, 4-fluoro-, 4-methoxyphenyl ester (CAS 80079-00-1)

Benzoic acid, 4-fluoro-, 4-methoxyphenyl ester

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InChI
InChI=1S/C14H11FO3/c1-17-12-6-8-13(9-7-12)18-14(16)10-2-4-11(15)5-3-10/h2-9H,1H3
InChI Key
VRXFVPQLYBARKT-UHFFFAOYSA-N
Formula
C14H11FO3
SMILES
COc1ccc(OC(=O)c2ccc(F)cc2)cc1
Molecular Weight1
246.23
CAS
80079-00-1
Other Names
  • 4-Fluorobenzoic acid, 4-methoxyphenyl ester
Sources

Physical Properties

Property Value Unit Source
Δf -261.17 kJ/mol Joback Calculated Property
Δfgas -455.30 kJ/mol Joback Calculated Property
Δfus 26.38 kJ/mol Joback Calculated Property
Δvap 63.38 kJ/mol Joback Calculated Property
logPoct/wat 3.05 Crippen Calculated Property
Pc 2640.67 kPa Joback Calculated Property
Tboil 681.02 K Joback Calculated Property
Tc 910.83 K Joback Calculated Property
Tfus 420.40 K Joback Calculated Property
Vc 0.66 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 446.99 J/mol×K 681.02 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
-F 1
>C=O (nonring) 1
=CH- (ring) 8
=C< (ring) 4
-CH3 1

Similar Compounds

4-Fluorobenzoic acid, 4-benzyloxyphenyl ester. 4-Fluorobenzoic acid, phenyl ester. 1,4-Benzenediol, monobenzoate. 4-Fluorobenzoic acid, 4-chlorophenyl ester. 4-Fluorobenzoic acid, 3-methylphenyl ester. 3-Fluorobenzoic acid, 4-methoxyphenyl ester. 3-Fluorobenzoic acid, 4-benzyloxyphenyl ester. Benzoic acid, phenyl ester. P-toluic acid, 4-methoxyphenyl ester. p-Toluic acid, 4-benzyloxyphenyl ester. 3,4-Difluorobenzoic acid, 4-benzyloxyphenyl ester. 3,4-Difluorobenzoic acid, 4-methoxyphenyl ester. 4-Fluorobenzoic acid, 3,5-difluorophenyl ester. 4-Fluorobenzoic acid, 3,5-dimethylphenyl ester. p-Anisic acid, 4-methoxyphenyl ester.

Find more compounds similar to Benzoic acid, 4-fluoro-, 4-methoxyphenyl ester.

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