Chemical Properties of 2,4,5-Trifluoro-3-methoxybenzoic acid, 4-methoxyphenyl ester

2,4,5-Trifluoro-3-methoxybenzoic acid, 4-methoxyphenyl ester

InChI
InChI=1S/C15H11F3O4/c1-20-8-3-5-9(6-4-8)22-15(19)10-7-11(16)13(18)14(21-2)12(10)17/h3-7H,1-2H3
InChI Key
XUOVIFLADDYXCT-UHFFFAOYSA-N
Formula
C15H11F3O4
SMILES
COc1ccc(OC(=O)c2cc(F)c(F)c(OC)c2F)cc1
Molecular Weight1
312.24
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Physical Properties

Property Value Unit Source
ΔfusH° 35.15 kJ/mol Joback Calculated Property
IE 8.11 eV Relay (1.0) Calculated Property
logPoct/wat 3.340 Crippen Calculated Property
McVol 199.180 ml/mol McGowan Calculated Property
Inp [2185.00; 2185.00]   Show Hide
Inp 2185.00 NIST
Inp 2185.00 NIST
Tboil 608.38 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, 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 [536.35; 596.86] J/mol×K [739.80; 948.30] Show Hide
Cp,gas 536.35 J/mol×K 739.80 Joback Calculated Property
Cp,gas 548.68 J/mol×K 774.55 Joback Calculated Property
Cp,gas 560.13 J/mol×K 809.30 Joback Calculated Property
Cp,gas 570.69 J/mol×K 844.05 Joback Calculated Property
Cp,gas 580.34 J/mol×K 878.80 Joback Calculated Property
Cp,gas 589.07 J/mol×K 913.55 Joback Calculated Property
Cp,gas 596.86 J/mol×K 948.30 Joback Calculated Property

Similar Compounds

2,4,5-Trifluoro-3-methoxybenzoic acid, phenyl ester. 2,4,5-Trifluoro-3-methoxybenzoic acid, 4-chlorophenyl ester. 2,4,5-Trifluoro-3-methoxybenzoic acid, 4-cyanophenyl ester. 2,4,5-Trifluoro-3-methoxybenzoic acid, 3,5-difluophenyl ester. 2,4,5-Trifluoro-3-methoxybenzoic acid, 3,4-dichlorophenyl ester. 2,4,5-Trifluoro-3-methoxybenzoic acid, 4-benzyloxyphenyl ester. 2,4,5-Trifluoro-3-methoxybenzoic acid, 4-nitrophenyl ester. 2,4,5-Trifluoro-3-methoxybenzoic acid, 3-methylphenyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, 4-biphenyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, 2,4,5-trichlorophenyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, pentafluorophenyl ester. 2,4,5-Trifluoro-3-methoxybenzoic acid, 3,5-dimethylphenyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, 2,3,4,6-tetrachlorophenyl ester. 2,3,4-Trifluorobenzoic acid, 4-methoxyphenyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, 2-propylphenyl ester.

Find more compounds similar to 2,4,5-Trifluoro-3-methoxybenzoic acid, 4-methoxyphenyl ester.

Sources

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