Chemical Properties of 2-Trifluoromethylbenzoic acid, 4-cyanophenyl ester

2-Trifluoromethylbenzoic acid, 4-cyanophenyl ester

InChI
InChI=1S/C15H8F3NO2/c16-15(17,18)13-4-2-1-3-12(13)14(20)21-11-7-5-10(9-19)6-8-11/h1-8H
InChI Key
FHDQNIMHIIFGIO-UHFFFAOYSA-N
Formula
C15H8F3NO2
SMILES
N#Cc1ccc(OC(=O)c2ccccc2C(F)(F)F)cc1
Molecular Weight1
291.22
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Physical Properties

Property Value Unit Source
ΔfusH° 28.03 kJ/mol Joback Calculated Property
log10WS -4.74 Relay (1.0) Calculated Property
logPoct/wat 3.796 Crippen Calculated Property
McVol 188.820 ml/mol McGowan Calculated Property
Inp [1907.00; 1907.00]   Show Hide
Inp 1907.00 NIST
Inp 1907.00 NIST
Tboil 615.04 K Relay (1.0) Calculated Property
Tfus 338.36 K Relay (1.0) Calculated Property

Cheméo can also estimate 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 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 [509.41; 558.42] J/mol×K [778.87; 1010.93] Show Hide
Cp,gas 509.41 J/mol×K 778.87 Joback Calculated Property
Cp,gas 519.77 J/mol×K 817.55 Joback Calculated Property
Cp,gas 529.17 J/mol×K 856.22 Joback Calculated Property
Cp,gas 537.66 J/mol×K 894.90 Joback Calculated Property
Cp,gas 545.33 J/mol×K 933.57 Joback Calculated Property
Cp,gas 552.23 J/mol×K 972.25 Joback Calculated Property
Cp,gas 558.42 J/mol×K 1010.93 Joback Calculated Property

Similar Compounds

2-Trifluoromethylbenzoic acid, phenyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 4-cyanophenyl ester. 2-Trifluoromethylbenzoic acid, 4-methoxyphenyl ester. 2-Trifluoromethylbenzoic acid, 4-chlorophenyl ester. 2-Trifluoromethylbenzoic acid, 2-naphthyl ester. 4-Fluoro-2-trifluoromethylbenzoic acid, 4-cyanophenyl ester. 2,5-Di(trifluoromethyl)benzoic acid, phenyl ester. 2-Trifluoromethylbenzoic acid, 3-methylphenyl ester. 5-Fluoro-2-trifluoromethylbenzoic acid, 4-cyanophenyl ester. 2-Trifluoromethylbenzoic acid, 4-biphenyl ester. 3-Trifluoromethylbenzoic acid, 4-cyanophenyl ester. 2-Trifluoromethylbenzoic acid, 2-methyl ester. 2-Trifluoromethylbenzoic acid, 3,4-dichlorophenyl ester. 2-Trifluoromethylbenzoic acid, 4-benzyloxyphenyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 4-chlorophenyl ester.

Find more compounds similar to 2-Trifluoromethylbenzoic acid, 4-cyanophenyl ester.

Sources

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