Chemical Properties of 2,6-Difluoro-3-methylbenzoic acid, 4-benzyloxyphenyl ester

2,6-Difluoro-3-methylbenzoic acid, 4-benzyloxyphenyl ester

InChI
InChI=1S/C21H16F2O3/c1-14-7-12-18(22)19(20(14)23)21(24)26-17-10-8-16(9-11-17)25-13-15-5-3-2-4-6-15/h2-12H,13H2,1H3
InChI Key
HWOHMPVKLMSDKK-UHFFFAOYSA-N
Formula
C21H16F2O3
SMILES
Cc1ccc(F)c(C(=O)Oc2ccc(OCc3ccccc3)cc2)c1F
Molecular Weight1
354.35
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Physical Properties

Property Value Unit Source
ΔfusH° 42.43 kJ/mol Joback Calculated Property
IE 8.10 eV Relay (1.0) Calculated Property
logPoct/wat 5.071 Crippen Calculated Property
McVol 252.320 ml/mol McGowan Calculated Property
Inp 2810.00 NIST
Tboil 682.66 K Relay (1.0) Calculated Property
Tfus 348.91 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [734.32; 793.49] J/mol×K [859.22; 1091.51] Show Hide
Cp,gas 734.32 J/mol×K 859.22 Joback Calculated Property
Cp,gas 747.51 J/mol×K 897.93 Joback Calculated Property
Cp,gas 759.32 J/mol×K 936.65 Joback Calculated Property
Cp,gas 769.78 J/mol×K 975.36 Joback Calculated Property
Cp,gas 778.93 J/mol×K 1014.08 Joback Calculated Property
Cp,gas 786.82 J/mol×K 1052.79 Joback Calculated Property
Cp,gas 793.49 J/mol×K 1091.51 Joback Calculated Property

Similar Compounds

2,6-Difluoro-3-methylbenzoic acid, 4-methoxyphenyl ester. 2,6-Difluoro-3-methylbenzoic acid, 3-methylphenyl ester. 2,6-Difluoro-3-methylbenzoic acid, phenyl ester. 2,6-Difluorobenzoic acid, 4-benzyloxyphenyl ester. 2,6-Difluoro-3-methylbenzoic acid, 3-fluorophenyl ester. 2,6-Difluoro-3-methylbenzoic acid, 3,4-dimethylphenyl ester. 2,6-Difluoro-3-methylbenzoic acid, 4-chlorophenyl ester. 2,4-Difluorobenzoic acid, 4-benzyloxyphenyl ester. 2,6-Difluoro-3-methylbenzoic acid, 3,4-dichlorophenyl ester. 2-Fluoro-3-trifluoromethylbenzoic acid, 4-benzyloxyphenyl ester. 2,6-Difluoro-3-methylbenzoic acid, 4-chloro-2-methylphenyl ester. 2,3,4-Trifluorobenzoic acid, 4-benzyloxyphenyl ester. 2-Fluorobenzoic acid, 4-benzyloxyphenyl ester. 2,6-Difluoro-3-methylbenzoic acid, 3,5-dimethylphenyl ester. 2,6-Difluoro-3-methylbenzoic acid, 4-nitrophenyl ester.

Find more compounds similar to 2,6-Difluoro-3-methylbenzoic acid, 4-benzyloxyphenyl ester.

Sources

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