Chemical Properties of 3-Chloro-2-fluorobenzoic acid, 2-nitro-5-fluorophenyl ester

3-Chloro-2-fluorobenzoic acid, 2-nitro-5-fluorophenyl ester

InChI
InChI=1S/C13H6ClF2NO4/c14-9-3-1-2-8(12(9)16)13(18)21-11-6-7(15)4-5-10(11)17(19)20/h1-6H
InChI Key
HUKPKYZHEGUWMG-UHFFFAOYSA-N
Formula
C13H6ClF2NO4
SMILES
O=C(Oc1cc(F)ccc1[N+](=O)[O-])c1cccc(Cl)c1F
Molecular Weight1
313.64
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Physical Properties

Property Value Unit Source
ΔfusH° 42.04 kJ/mol Joback Calculated Property
logPoct/wat 3.746 Crippen Calculated Property
McVol 187.150 ml/mol McGowan Calculated Property
Inp 2185.00 NIST
Tboil 607.83 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, Ionization energy, 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 [250.26; 517.55] 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 A3.64300e+01
Coefficient B9.17960e-01
Coefficient C-5.14640e-04
Coefficient D7.78000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 250.26 J/mol×K 273.00 Calculated Property
Cp,gas 300.22 J/mol×K 353.78 Calculated Property
Cp,gas 344.54 J/mol×K 434.56 Calculated Property
Cp,gas 383.46 J/mol×K 515.33 Calculated Property
Cp,gas 417.24 J/mol×K 596.11 Calculated Property
Cp,gas 446.12 J/mol×K 676.89 Calculated Property
Cp,gas 470.34 J/mol×K 757.67 Calculated Property
Cp,gas 490.16 J/mol×K 838.44 Calculated Property
Cp,gas 505.81 J/mol×K 919.22 Calculated Property
Cp,gas 517.55 J/mol×K 1000.00 Calculated Property

Similar Compounds

3-Chlorobenzoic acid, 2-nitro-5-fluorophenyl ester. 2,4-Difluorobenzoic acid, 2-nitro-5-fluorophenyl ester. 2,5-Difluorobenzoic acid, 2-nitro-5-fluorophenyl ester. 2-Fluoro-3-trifluoromethylbenzoic acid, 2-nitro-5-fluorophenyl ester. Isophthalic acid, ethyl 2-nitro-5-fluorophenyl ester. m-Methoxybenzoic acid, 5-fluoro-2-nitrophenyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 2-nitro-5-fluorophenyl ester. p-Methoxybenzoic acid, 5-fluoro-2-nitrophenyl ester. 3-Bromobenzoic acid, 5-fluoro-2-nitrophenyl ester. 4-Cyanobenzoic acid, 5-fluoro-2-nitrophenyl ester. Isophthalic acid, 2-nitro-5-fluorophenyl propyl ester. 3-Chloro-2-fluorobenzoic acid, 4-nitrophenyl ester. o-Methoxybenzoic acid, 5-fluoro-2-nitrophenyl ester. Isophthalic acid, isobutyl 2-nitro-5-fluorophenyl ester. p-Toluic acid, 5-fluoro-2-nitrophenyl ester.

Find more compounds similar to 3-Chloro-2-fluorobenzoic acid, 2-nitro-5-fluorophenyl ester.

Sources

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