Chemical Properties of 2,5-Di(trifluoromethyl)benzoic acid, 3-fluorophenyl ester

2,5-Di(trifluoromethyl)benzoic acid, 3-fluorophenyl ester

InChI
InChI=1S/C15H7F7O2/c16-9-2-1-3-10(7-9)24-13(23)11-6-8(14(17,18)19)4-5-12(11)15(20,21)22/h1-7H
InChI Key
LWBRNIAJKIFWCD-UHFFFAOYSA-N
Formula
C15H7F7O2
SMILES
O=C(Oc1cccc(F)c1)c1cc(C(F)(F)F)ccc1C(F)(F)F
Molecular Weight1
352.20
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Physical Properties

Property Value Unit Source
ΔfH°gas -1640.99 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 32.62 kJ/mol Joback Calculated Property
ΔvapH° 79.53 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 5.082 Crippen Calculated Property
McVol 194.520 ml/mol McGowan Calculated Property
Inp [1528.00; 1528.00]   Show Hide
Inp 1528.00 NIST
Inp 1528.00 NIST
Tboil 560.11 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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 [522.39; 580.82] J/mol×K [657.75; 853.29] Show Hide
Cp,gas 522.39 J/mol×K 657.75 Joback Calculated Property
Cp,gas 534.38 J/mol×K 690.34 Joback Calculated Property
Cp,gas 545.39 J/mol×K 722.93 Joback Calculated Property
Cp,gas 555.49 J/mol×K 755.52 Joback Calculated Property
Cp,gas 564.72 J/mol×K 788.11 Joback Calculated Property
Cp,gas 573.15 J/mol×K 820.70 Joback Calculated Property
Cp,gas 580.82 J/mol×K 853.29 Joback Calculated Property

Similar Compounds

2,5-Di(trifluoromethyl)benzoic acid, 3,5-difluophenyl ester. 4-Fluoro-2-trifluoromethylbenzoic acid, 3-fluorophenyl ester. 2,5-Di(trifluoromethyl)benzoic acid, phenyl ester. 2-Trifluoromethylbenzoic acid, 3,5-difluorophenyl ester. 5-Fluoro-2-trifluoromethylbenzoic acid, 3,5-difluophenyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 4-cyanophenyl ester. 5-Fluoro-2-trifluoromethylbenzoic acid, phenyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 4-chlorophenyl ester. 4-Fluoro-2-trifluoromethylbenzoic acid, 3,5-difluophenyl ester. 6-Fluoro-2-trifluoromethylbenzoic acid, 3-fluorophenyl ester. 4-Fluoro-2-trifluoromethylbenzoic acid, phenyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 4-nitrophenyl ester. 5-Fluoro-2-trifluoromethylbenzoic acid, 4-cyanophenyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 3,4-dichlorophenyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 3-methylphenyl ester.

Find more compounds similar to 2,5-Di(trifluoromethyl)benzoic acid, 3-fluorophenyl ester.

Sources

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