Chemical Properties of 3-Fluoro-5-trifluoromethylbenzoic acid, 4-isopropylphenyl ester

3-Fluoro-5-trifluoromethylbenzoic acid, 4-isopropylphenyl ester

InChI
InChI=1S/C17H14F4O2/c1-10(2)11-3-5-15(6-4-11)23-16(22)12-7-13(17(19,20)21)9-14(18)8-12/h3-10H,1-2H3
InChI Key
SVPCTDWCUKJVME-UHFFFAOYSA-N
Formula
C17H14F4O2
SMILES
CC(C)c1ccc(OC(=O)c2cc(F)cc(C(F)(F)F)c2)cc1
Molecular Weight1
326.29
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Physical Properties

Property Value Unit Source
ΔfusH° 30.87 kJ/mol Joback Calculated Property
logPoct/wat 5.187 Crippen Calculated Property
McVol 217.390 ml/mol McGowan Calculated Property
Inp [1818.00; 1818.00]   Show Hide
Inp 1818.00 NIST
Inp 1818.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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, Ionization energy, 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 [603.82; 673.13] J/mol×K [726.36; 936.57] Show Hide
Cp,gas 603.82 J/mol×K 726.36 Joback Calculated Property
Cp,gas 617.80 J/mol×K 761.39 Joback Calculated Property
Cp,gas 630.73 J/mol×K 796.43 Joback Calculated Property
Cp,gas 642.68 J/mol×K 831.46 Joback Calculated Property
Cp,gas 653.70 J/mol×K 866.50 Joback Calculated Property
Cp,gas 663.83 J/mol×K 901.53 Joback Calculated Property
Cp,gas 673.13 J/mol×K 936.57 Joback Calculated Property

Similar Compounds

3-Fluoro-4-trifluoromethylbenzoic acid, 4-isopropylphenyl ester. 6-Fluoro-3-trifluoromethylbenzoic acid, 4-isopropylphenyl ester. 4-Fluoro-2-trifluoromethylbenzoic acid, 4-isopropylphenyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 4-isopropylphenyl ester. 6-Fluoro-2-trifluoromethylbenzoic acid, 4-isopropylphenyl ester. Isophthalic acid, ethyl 4-isopropylphenyl ester. 2,6-Difluoro-3-methylbenzoic acid, 4-isopropylphenyl ester. Isophthalic acid, 4-isopropylphenyl propyl ester. 3-Fluoro-5-trifluoromethylbenzoic acid, 2-(1-phenyleth-1-yl)-4-methoxyphenyl ester. 3-Fluoro-5-trifluoromethylbenzoic acid, 3,4-dimethylphenyl ester. 3-Chloro-2-fluorobenzoic acid, 4-isopropylphenyl ester. Benzoic acid, 4-isopropyl phenyl ester. Isophthalic acid, isobutyl 4-isopropylphenyl ester. 4-Isopropylphenol, pentafluorobenzoyl ester. 3-Fluoro-5-trifluoromethylbenzoic acid, 3-methylphenyl ester.

Find more compounds similar to 3-Fluoro-5-trifluoromethylbenzoic acid, 4-isopropylphenyl ester.

Sources

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