Chemical Properties of Glutaric acid, 2-chloro-6-fluorophenyl 1-naphthyl ester

Glutaric acid, 2-chloro-6-fluorophenyl 1-naphthyl ester

InChI
InChI=1S/C21H16ClFO4/c22-16-9-4-10-17(23)21(16)27-20(25)13-5-12-19(24)26-18-11-3-7-14-6-1-2-8-15(14)18/h1-4,6-11H,5,12-13H2
InChI Key
GCQQGTKIJDEJCS-UHFFFAOYSA-N
Formula
C21H16ClFO4
SMILES
O=C(CCCC(=O)Oc1cccc2ccccc12)Oc1c(F)cccc1Cl
Molecular Weight1
386.80
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Physical Properties

Property Value Unit Source
ΔfusH° 50.09 kJ/mol Joback Calculated Property
IE 7.98 eV Relay (1.0) Calculated Property
log10WS -5.85 Relay (1.0) Calculated Property
logPoct/wat 5.314 Crippen Calculated Property
McVol 268.660 ml/mol McGowan Calculated Property
Inp [3083.00; 3083.00]   Show Hide
Inp 3083.00 NIST
Inp 3083.00 NIST
Tfus 358.14 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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 [357.39; 797.34] 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 A-2.75700e+00
Coefficient B1.56780e+00
Coefficient C-9.64200e-04
Coefficient D1.96500e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 357.39 J/mol×K 273.00 Calculated Property
Cp,gas 439.92 J/mol×K 353.78 Calculated Property
Cp,gas 512.59 J/mol×K 434.56 Calculated Property
Cp,gas 576.01 J/mol×K 515.33 Calculated Property
Cp,gas 630.82 J/mol×K 596.11 Calculated Property
Cp,gas 677.64 J/mol×K 676.89 Calculated Property
Cp,gas 717.07 J/mol×K 757.67 Calculated Property
Cp,gas 749.75 J/mol×K 838.44 Calculated Property
Cp,gas 776.30 J/mol×K 919.22 Calculated Property
Cp,gas 797.34 J/mol×K 1000.00 Calculated Property

Similar Compounds

Glutaric acid, 2-fluorophenyl 2,4-dichloro-1-naphthyl ester. Glutaric acid, 2-fluorophenyl 2-chloro-6-fluorophenyl ester. Glutaric acid, 2-fluorophenyl 1-naphthyl ester. Glutaric acid, 3-chlorophenyl 2-chloro-6-fluorophenyl ester. Glutaric acid, 2-chloro-6-fluorophenyl 3-fluorophenyl ester. Glutaric acid, 2-chloro-6-fluorophenyl 2,4-dichlorophenyl ester. Glutaric acid, 2-fluorophenyl 2,6-dichlorophenyl ester. Glutaric acid, 2,3-dichlorophenyl 2-chloro-6-fluorophenyl ester. Glutaric acid, 2-chloro-6-fluorophenyl 2,4,5-trichlorophenyl ester. Glutaric acid, 2-fluorophenyl 2,4-dichlorophenyl ester. Glutaric acid, 2-chloro-6-fluorophenyl 4-bromophenyl ester. Glutaric acid, 2-chloro-6-fluorophenyl 2-methoxyphenyl ester. Glutaric acid, 2-chloro-6-fluorophenyl 2,3,4-trifluorophenyl ester. Glutaric acid, 2,3-dichlorophenyl 1-naphthyl ester. Glutaric acid, 2-chloro-6-fluorophenyl 4-biphenyl ester.

Find more compounds similar to Glutaric acid, 2-chloro-6-fluorophenyl 1-naphthyl ester.

Sources

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