Chemical Properties of 4-Cyanobenzoic acid, 3,5-difluorophenyl ester

4-Cyanobenzoic acid, 3,5-difluorophenyl ester

InChI
InChI=1S/C14H7F2NO2/c15-11-5-12(16)7-13(6-11)19-14(18)10-3-1-9(8-17)2-4-10/h1-7H
InChI Key
JJUACBTUQUZCGC-UHFFFAOYSA-N
Formula
C14H7F2NO2
SMILES
N#Cc1ccc(C(=O)Oc2cc(F)cc(F)c2)cc1
Molecular Weight1
259.21
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Physical Properties

Property Value Unit Source
ΔfusH° 29.38 kJ/mol Joback Calculated Property
IE 9.55 eV Relay (1.0) Calculated Property
logPoct/wat 3.056 Crippen Calculated Property
McVol 172.960 ml/mol McGowan Calculated Property
Inp [1841.20; 1841.20]   Show Hide
Inp 1841.20 NIST
Inp 1841.20 NIST
Tboil 606.81 K Relay (1.0) Calculated Property

Cheméo can also estimate 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 [445.59; 493.51] J/mol×K [764.93; 999.55] Show Hide
Cp,gas 445.59 J/mol×K 764.93 Joback Calculated Property
Cp,gas 455.75 J/mol×K 804.03 Joback Calculated Property
Cp,gas 465.01 J/mol×K 843.14 Joback Calculated Property
Cp,gas 473.38 J/mol×K 882.24 Joback Calculated Property
Cp,gas 480.91 J/mol×K 921.34 Joback Calculated Property
Cp,gas 487.61 J/mol×K 960.44 Joback Calculated Property
Cp,gas 493.51 J/mol×K 999.55 Joback Calculated Property

Similar Compounds

Benzoic acid, 3,5-difluophenyl ester. 4-Fluorobenzoic acid, 3,5-difluorophenyl ester. p-Toluic acid, 3,5-difluorophenyl ester. Isophthalic acid, di(3,5-difluorophenyl) ester. 4-Bromobenzoic acid, 3,5-difluorophenyl ester. p-Methoxybenzoic acid, 3,5-difluorophenyl ester. 3-Fluorobenzoic acid, 3,5-difluorophenyl ester. 3,4-Difluorobenzoic acid, 3,5-difluophenyl ester. 3-Bromobenzoic acid, 3,5-difluorophenyl ester. 2-Fluorobenzoic acid, 3,5-difluorophenyl ester. Benzoic acid, 4-cyano-, phenyl ester. 3-Chlorobenzoic acid, 3,5-difluophenyl ester. Isophthalic acid, di(3-fluorophenyl) ester. 3-Trifluoromethylbenzoic acid, 3,5-difluorophenyl ester. 4-Nitrobenzoic acid, 3,5-difluorophenyl ester.

Find more compounds similar to 4-Cyanobenzoic acid, 3,5-difluorophenyl ester.

Sources

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