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

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

InChI
InChI=1S/C14H9F3O3/c1-19-13-11(16)9(7-10(15)12(13)17)14(18)20-8-5-3-2-4-6-8/h2-7H,1H3
InChI Key
JLPDXBRAYFXHIQ-UHFFFAOYSA-N
Formula
C14H9F3O3
SMILES
COc1c(F)c(F)cc(C(=O)Oc2ccccc2)c1F
Molecular Weight1
282.22
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Physical Properties

Property Value Unit Source
ΔfH°gas -778.13 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 33.34 kJ/mol Joback Calculated Property
IE 8.47 eV Relay (1.0) Calculated Property
log10WS -4.74 Relay (1.0) Calculated Property
logPoct/wat 3.332 Crippen Calculated Property
McVol 179.220 ml/mol McGowan Calculated Property
Inp 1841.00 NIST
Tboil 578.77 K Relay (1.0) Calculated Property
Tfus 332.59 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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 [457.36; 519.02] J/mol×K [671.65; 882.02] Show Hide
Cp,gas 457.36 J/mol×K 671.65 Joback Calculated Property
Cp,gas 469.79 J/mol×K 706.71 Joback Calculated Property
Cp,gas 481.35 J/mol×K 741.77 Joback Calculated Property
Cp,gas 492.05 J/mol×K 776.84 Joback Calculated Property
Cp,gas 501.89 J/mol×K 811.90 Joback Calculated Property
Cp,gas 510.88 J/mol×K 846.96 Joback Calculated Property
Cp,gas 519.02 J/mol×K 882.02 Joback Calculated Property

Similar Compounds

2,4,5-Trifluoro-3-methoxybenzoic acid, 4-methoxyphenyl 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, 3,5-difluophenyl ester. 2,4,5-Trifluoro-3-methoxybenzoic acid, 3,4-dichlorophenyl ester. 2,4,5-Trifluoro-3-methoxybenzoic acid, 3-methylphenyl ester. 2,4,5-Trifluoro-3-methoxybenzoic acid, 4-nitrophenyl 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, 4-benzyloxyphenyl 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. 2,4,5-Trifluoro-3-methoxybenzoic acid, methyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, ethyl ester.

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

Sources

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