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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [485.16; 524.25] J/mol×K [816.35; 1064.23] Show Hide
Cp,gas 485.16 J/mol×K 816.35 Joback Calculated Property
Cp,gas 494.25 J/mol×K 857.66 Joback Calculated Property
Cp,gas 502.27 J/mol×K 898.98 Joback Calculated Property
Cp,gas 509.24 J/mol×K 940.29 Joback Calculated Property
Cp,gas 515.21 J/mol×K 981.61 Joback Calculated Property
Cp,gas 520.20 J/mol×K 1022.92 Joback Calculated Property
Cp,gas 524.25 J/mol×K 1064.23 Joback 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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