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

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

InChI
InChI=1S/C15H8F3NO3/c1-21-14-12(17)10(6-11(16)13(14)18)15(20)22-9-4-2-8(7-19)3-5-9/h2-6H,1H3
InChI Key
GCPIQTCGKUSQHB-UHFFFAOYSA-N
Formula
C15H8F3NO3
SMILES
COc1c(F)c(F)cc(C(=O)Oc2ccc(C#N)cc2)c1F
Molecular Weight1
307.22
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Physical Properties

Property Value Unit Source
ΔfusH° 35.46 kJ/mol Joback Calculated Property
IE 8.95 eV Relay (1.0) Calculated Property
logPoct/wat 3.203 Crippen Calculated Property
McVol 194.690 ml/mol McGowan Calculated Property
Inp 2225.00 NIST
Tboil 621.74 K Relay (1.0) Calculated Property
Tfus 383.37 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 [526.12; 570.37] J/mol×K [819.46; 1041.32] Show Hide
Cp,gas 526.12 J/mol×K 819.46 Joback Calculated Property
Cp,gas 535.79 J/mol×K 856.44 Joback Calculated Property
Cp,gas 544.55 J/mol×K 893.41 Joback Calculated Property
Cp,gas 552.39 J/mol×K 930.39 Joback Calculated Property
Cp,gas 559.31 J/mol×K 967.36 Joback Calculated Property
Cp,gas 565.31 J/mol×K 1004.34 Joback Calculated Property
Cp,gas 570.37 J/mol×K 1041.32 Joback Calculated Property

Similar Compounds

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

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

Sources

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