Chemical Properties of 4-Fluoro-2-trifluoromethylbenzoic acid, 2-nitro-5-fluorophenyl ester

4-Fluoro-2-trifluoromethylbenzoic acid, 2-nitro-5-fluorophenyl ester

InChI
InChI=1S/C14H6F5NO4/c15-7-1-3-9(10(5-7)14(17,18)19)13(21)24-12-6-8(16)2-4-11(12)20(22)23/h1-6H
InChI Key
PUWKVODJNCKSKS-UHFFFAOYSA-N
Formula
C14H6F5NO4
SMILES
O=C(Oc1cc(F)ccc1[N+](=O)[O-])c1ccc(F)cc1C(F)(F)F
Molecular Weight1
347.19
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Physical Properties

Property Value Unit Source
ΔfusH° 40.68 kJ/mol Joback Calculated Property
logPoct/wat 4.111 Crippen Calculated Property
McVol 194.310 ml/mol McGowan Calculated Property
Inp [1854.00; 1854.00]   Show Hide
Inp 1854.00 NIST
Inp 1854.00 NIST
Tboil 595.48 K Relay (1.0) Calculated Property
Tfus 327.84 K Relay (1.0) Calculated Property

Cheméo can also estimate 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 [545.57; 588.75] J/mol×K [814.25; 1041.36] Show Hide
Cp,gas 545.57 J/mol×K 814.25 Joback Calculated Property
Cp,gas 554.88 J/mol×K 852.10 Joback Calculated Property
Cp,gas 563.27 J/mol×K 889.95 Joback Calculated Property
Cp,gas 570.79 J/mol×K 927.80 Joback Calculated Property
Cp,gas 577.52 J/mol×K 965.66 Joback Calculated Property
Cp,gas 583.48 J/mol×K 1003.51 Joback Calculated Property
Cp,gas 588.75 J/mol×K 1041.36 Joback Calculated Property

Similar Compounds

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

Find more compounds similar to 4-Fluoro-2-trifluoromethylbenzoic acid, 2-nitro-5-fluorophenyl ester.

Sources

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