Chemical Properties of 2,5-Di(trifluoromethyl)benzoic acid, 4-cyanophenyl ester

2,5-Di(trifluoromethyl)benzoic acid, 4-cyanophenyl ester

InChI
InChI=1S/C16H7F6NO2/c17-15(18,19)10-3-6-13(16(20,21)22)12(7-10)14(24)25-11-4-1-9(8-23)2-5-11/h1-7H
InChI Key
WJHYCQRXQOKJCW-UHFFFAOYSA-N
Formula
C16H7F6NO2
SMILES
N#Cc1ccc(OC(=O)c2cc(C(F)(F)F)ccc2C(F)(F)F)cc1
Molecular Weight1
359.22
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Physical Properties

Property Value Unit Source
ΔfusH° 33.64 kJ/mol Joback Calculated Property
IE 9.55 eV Relay (1.0) Calculated Property
logPoct/wat 4.815 Crippen Calculated Property
McVol 208.220 ml/mol McGowan Calculated Property
Inp [1855.00; 1855.00]   Show Hide
Inp 1855.00 NIST
Inp 1855.00 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, 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 [583.25; 628.10] J/mol×K [783.44; 996.91] Show Hide
Cp,gas 583.25 J/mol×K 783.44 Joback Calculated Property
Cp,gas 592.78 J/mol×K 819.02 Joback Calculated Property
Cp,gas 601.38 J/mol×K 854.60 Joback Calculated Property
Cp,gas 609.14 J/mol×K 890.18 Joback Calculated Property
Cp,gas 616.14 J/mol×K 925.76 Joback Calculated Property
Cp,gas 622.43 J/mol×K 961.33 Joback Calculated Property
Cp,gas 628.10 J/mol×K 996.91 Joback Calculated Property

Similar Compounds

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

Find more compounds similar to 2,5-Di(trifluoromethyl)benzoic acid, 4-cyanophenyl ester.

Sources

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