Chemical Properties of 2,5-Di(trifluoromethyl)benzoic acid, 2-biphenyl ester

2,5-Di(trifluoromethyl)benzoic acid, 2-biphenyl ester

InChI
InChI=1S/C21H12F6O2/c22-20(23,24)14-10-11-17(21(25,26)27)16(12-14)19(28)29-18-9-5-4-8-15(18)13-6-2-1-3-7-13/h1-12H
InChI Key
YBFZELQXHGAHLK-UHFFFAOYSA-N
Formula
C21H12F6O2
SMILES
O=C(Oc1ccccc1-c1ccccc1)c1cc(C(F)(F)F)ccc1C(F)(F)F
Molecular Weight1
410.31
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Physical Properties

Property Value Unit Source
ΔfusH° 39.12 kJ/mol Joback Calculated Property
logPoct/wat 6.610 Crippen Calculated Property
McVol 253.530 ml/mol McGowan Calculated Property
Inp 2046.00 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 [742.32; 800.52] J/mol×K [822.44; 1043.92] Show Hide
Cp,gas 742.32 J/mol×K 822.44 Joback Calculated Property
Cp,gas 754.58 J/mol×K 859.35 Joback Calculated Property
Cp,gas 765.66 J/mol×K 896.27 Joback Calculated Property
Cp,gas 775.69 J/mol×K 933.18 Joback Calculated Property
Cp,gas 784.77 J/mol×K 970.09 Joback Calculated Property
Cp,gas 793.01 J/mol×K 1007.01 Joback Calculated Property
Cp,gas 800.52 J/mol×K 1043.92 Joback Calculated Property

Similar Compounds

4-Fluoro-2-trifluoromethylbenzoic acid, 2-biphenyl ester. 6-Fluoro-2-trifluoromethylbenzoic acid, 2-biphenyl ester. 6-Fluoro-3-trifluoromethylbenzoic acid, 2-biphenyl ester. 3-Fluoro-5-trifluoromethylbenzoic acid, 2-biphenyl ester. 2-Trifluoromethylbenzoic acid, 4-biphenyl ester. Isophthalic acid, monochloride, 2-biphenyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 2-biphenyl ester. Isophthalic acid, 2-biphenyl ethyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 2,3-dichlorophenyl ester. Isophthalic acid, 2-biphenyl propyl ester. 2,5-Di(trifluoromethyl)benzoic acid, phenyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 3-fluorophenyl ester. Isophthalic acid, 2-biphenyl isobutyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 3-methylphenyl ester. Isophthalic acid, 2-biphenyl nonyl ester.

Find more compounds similar to 2,5-Di(trifluoromethyl)benzoic acid, 2-biphenyl ester.

Sources

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