Chemical Properties of Glutaric acid, 3-chlorophenyl 3-fluorophenyl ester

Glutaric acid, 3-chlorophenyl 3-fluorophenyl ester

InChI
InChI=1S/C17H14ClFO4/c18-12-4-1-6-14(10-12)22-16(20)8-3-9-17(21)23-15-7-2-5-13(19)11-15/h1-2,4-7,10-11H,3,8-9H2
InChI Key
JONVYOPBAWEDTE-UHFFFAOYSA-N
Formula
C17H14ClFO4
SMILES
O=C(CCCC(=O)Oc1cccc(Cl)c1)Oc1cccc(F)c1
Molecular Weight1
336.75
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Physical Properties

Property Value Unit Source
ΔfusH° 43.10 kJ/mol Joback Calculated Property
IE 8.57 eV Relay (1.0) Calculated Property
log10WS -5.33 Relay (1.0) Calculated Property
logPoct/wat 4.160 Crippen Calculated Property
McVol 231.760 ml/mol McGowan Calculated Property
Inp [2457.00; 2457.00]   Show Hide
Inp 2457.00 NIST
Inp 2457.00 NIST
Tboil 647.99 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 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [310.98; 684.80] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A1.80230e+01
Coefficient B1.25100e+00
Coefficient C-6.76920e-04
Coefficient D9.27000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 310.98 J/mol×K 273.00 Calculated Property
Cp,gas 379.98 J/mol×K 353.78 Calculated Property
Cp,gas 441.43 J/mol×K 434.56 Calculated Property
Cp,gas 495.62 J/mol×K 515.33 Calculated Property
Cp,gas 542.85 J/mol×K 596.11 Calculated Property
Cp,gas 583.41 J/mol×K 676.89 Calculated Property
Cp,gas 617.59 J/mol×K 757.67 Calculated Property
Cp,gas 645.69 J/mol×K 838.44 Calculated Property
Cp,gas 667.99 J/mol×K 919.22 Calculated Property
Cp,gas 684.80 J/mol×K 1000.00 Calculated Property

Similar Compounds

Glutaric acid, 2,3-dichlorophenyl 3-fluorophenyl ester. Glutaric acid, 2-fluorophenyl 3-chlorophenyl ester. Glutaric acid, 3-chlorophenyl 2,3,4-trifluorophenyl ester. Glutaric acid, di(3-fluorophenyl) ester. Glutaric acid, 2,4,6-trichlorophenyl 3-fluorophenyl ester. Glutaric acid, di(3-chlorophenyl) ester. Glutaric acid, 2-chloro-6-fluorophenyl 3-fluorophenyl ester. Glutaric acid, 3-chlorophenyl 2-chloro-6-fluorophenyl ester. Glutaric acid, 3-chlorophenyl pentafluorophenyl ester. Succinic acid, 3-chlorophenyl 3-fluorophenyl ester. Glutaric acid, 2-fluorophenyl 2,5-dichlorophenyl ester. Glutaric acid, 2-fluorophenyl 2,3-dichlorophenyl ester. Pimelic acid, di(3-chlorophenyl) ester. Glutaric acid, 3-chlorophenyl 2,6-dichlorophenyl ester. Sebacic acid, di(3-fluorophenyl) ester.

Find more compounds similar to Glutaric acid, 3-chlorophenyl 3-fluorophenyl ester.

Sources

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