Chemical Properties of 3-Chloro-2-fluorobenzoic acid, 4-nitrophenyl ester

3-Chloro-2-fluorobenzoic acid, 4-nitrophenyl ester

InChI
InChI=1S/C13H7ClFNO4/c14-11-3-1-2-10(12(11)15)13(17)20-9-6-4-8(5-7-9)16(18)19/h1-7H
InChI Key
LEJYFBCFPBXCFZ-UHFFFAOYSA-N
Formula
C13H7ClFNO4
SMILES
O=C(Oc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1F
Molecular Weight1
295.65
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Physical Properties

Property Value Unit Source
ΔfusH° 39.35 kJ/mol Joback Calculated Property
IE 9.30 eV Relay (1.0) Calculated Property
logPoct/wat 3.607 Crippen Calculated Property
McVol 185.380 ml/mol McGowan Calculated Property
Inp [2391.00; 2391.00]   Show Hide
Inp 2391.00 NIST
Inp 2391.00 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [239.51; 513.52] 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 A1.60400e+01
Coefficient B9.65660e-01
Coefficient C-5.65280e-04
Coefficient D9.71000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 239.51 J/mol×K 273.00 Calculated Property
Cp,gas 291.22 J/mol×K 353.78 Calculated Property
Cp,gas 336.89 J/mol×K 434.56 Calculated Property
Cp,gas 376.85 J/mol×K 515.33 Calculated Property
Cp,gas 411.38 J/mol×K 596.11 Calculated Property
Cp,gas 440.80 J/mol×K 676.89 Calculated Property
Cp,gas 465.42 J/mol×K 757.67 Calculated Property
Cp,gas 485.54 J/mol×K 838.44 Calculated Property
Cp,gas 501.47 J/mol×K 919.22 Calculated Property
Cp,gas 513.52 J/mol×K 1000.00 Calculated Property

Similar Compounds

3-Chloro-2-fluorobenzoic acid, 4-cyanophenyl ester. 3-Chloro-2-fluorobenzoic acid, 4-chlorophenyl ester. 3-Chloro-2-fluorobenzoic acid, phenylester. 3-Chloro-2-fluorobenzoic acid, 4-methoxyphenyl ester. 2-Fluorobenzoic acid, 4-nitrophenyl ester. 3-Chloro-2-fluorobenzoic acid, 3-fluorophenyl ester. 3-Chloro-2-fluorobenzoic acid, 3,4-dichlorophenyl ester. 3-Chloro-2-fluorobenzoic acid, 2-nitro-5-fluorophenyl ester. 3-Chloro-2-fluorobenzoic acid, 4-biphenyl ester. 3-Chlorobenzoic acid, 4-nitrophenyl ester. 3-Chloro-2-fluorobenzoic acid, 3,5-difluophenyl ester. 2,4-Difluorobenzoic acid, 4-nitrophenyl ester. 3-Chloro-2-fluorobenzoic acid, 3-methylphenyl ester. 2,5-Difluorobenzoic acid, 4-nitrophenyl ester. 2,3,4-Trifluorobenzoic acid, 4-nitrophenyl ester.

Find more compounds similar to 3-Chloro-2-fluorobenzoic acid, 4-nitrophenyl ester.

Sources

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