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

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

InChI
InChI=1S/C15H11F3O3/c1-8-4-3-5-9(6-8)21-15(19)10-7-11(16)13(18)14(20-2)12(10)17/h3-7H,1-2H3
InChI Key
CMTRCIXUUHEUFD-UHFFFAOYSA-N
Formula
C15H11F3O3
SMILES
COc1c(F)c(F)cc(C(=O)Oc2cccc(C)c2)c1F
Molecular Weight1
296.24
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Physical Properties

Property Value Unit Source
ΔfusH° 35.54 kJ/mol Joback Calculated Property
IE 8.31 eV Relay (1.0) Calculated Property
log10WS -5.22 Relay (1.0) Calculated Property
logPoct/wat 3.640 Crippen Calculated Property
McVol 193.310 ml/mol McGowan Calculated Property
Inp [1946.00; 1946.00]   Show Hide
Inp 1946.00 NIST
Inp 1946.00 NIST
Tboil 591.13 K Relay (1.0) Calculated Property
Tc 840.69 K Relay (1.0) Calculated Property
Tfus 335.28 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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 [507.28; 570.79] J/mol×K [699.51; 907.77] Show Hide
Cp,gas 507.28 J/mol×K 699.51 Joback Calculated Property
Cp,gas 520.07 J/mol×K 734.22 Joback Calculated Property
Cp,gas 531.97 J/mol×K 768.93 Joback Calculated Property
Cp,gas 543.00 J/mol×K 803.64 Joback Calculated Property
Cp,gas 553.15 J/mol×K 838.35 Joback Calculated Property
Cp,gas 562.41 J/mol×K 873.06 Joback Calculated Property
Cp,gas 570.79 J/mol×K 907.77 Joback Calculated Property

Similar Compounds

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

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

Sources

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