Chemical Properties of 2-Fluoro-3-trifluoromethylbenzoic acid, 2-nitro-5-fluorophenyl ester

2-Fluoro-3-trifluoromethylbenzoic acid, 2-nitro-5-fluorophenyl ester

InChI
InChI=1S/C14H6F5NO4/c15-7-4-5-10(20(22)23)11(6-7)24-13(21)8-2-1-3-9(12(8)16)14(17,18)19/h1-6H
InChI Key
KOICMPRNQPBZSO-UHFFFAOYSA-N
Formula
C14H6F5NO4
SMILES
O=C(Oc1cc(F)ccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1F
Molecular Weight1
347.19
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Physical Properties

Property Value Unit Source
ΔfusH° 42.26 kJ/mol Joback Calculated Property
logPoct/wat 4.111 Crippen Calculated Property
McVol 194.310 ml/mol McGowan Calculated Property
Inp [1954.00; 1954.00]   Show Hide
Inp 1954.00 NIST
Inp 1954.00 NIST
Tfus 332.10 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, 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 [281.21; 583.55] 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 A1.64300e+01
Coefficient B1.16736e+00
Coefficient C-7.69640e-04
Coefficient D1.69400e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 281.21 J/mol×K 273.00 Calculated Property
Cp,gas 340.59 J/mol×K 353.78 Calculated Property
Cp,gas 392.28 J/mol×K 434.56 Calculated Property
Cp,gas 436.80 J/mol×K 515.33 Calculated Property
Cp,gas 474.70 J/mol×K 596.11 Calculated Property
Cp,gas 506.51 J/mol×K 676.89 Calculated Property
Cp,gas 532.76 J/mol×K 757.67 Calculated Property
Cp,gas 554.00 J/mol×K 838.44 Calculated Property
Cp,gas 570.75 J/mol×K 919.22 Calculated Property
Cp,gas 583.55 J/mol×K 1000.00 Calculated Property

Similar Compounds

3-Fluoro-5-trifluoromethylbenzoic acid, 2-nitro-5-fluorophenyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 2-nitro-5-fluorophenyl ester. 2,4-Difluorobenzoic acid, 2-nitro-5-fluorophenyl ester. 2-Fluoro-3-trifluoromethylbenzoic acid, 4-nitrophenyl ester. 4-Fluoro-2-trifluoromethylbenzoic acid, 2-nitro-5-fluorophenyl ester. 2,5-Difluorobenzoic acid, 2-nitro-5-fluorophenyl ester. 3-Chloro-2-fluorobenzoic acid, 2-nitro-5-fluorophenyl ester. 2,6-Difluoro-3-methylbenzoic acid, 2-nitro-5-fluorophenyl ester. Isophthalic acid, 2-nitro-5-fluorophenyl propyl ester. Isophthalic acid, isobutyl 2-nitro-5-fluorophenyl ester. Isophthalic acid, ethyl 2-nitro-5-fluorophenyl ester. 3-Bromobenzoic acid, 5-fluoro-2-nitrophenyl ester. 4-Cyanobenzoic acid, 5-fluoro-2-nitrophenyl ester. Isophthalic acid, butyl 2-nitro-5-fluorophenyl ester. m-Methoxybenzoic acid, 5-fluoro-2-nitrophenyl ester.

Find more compounds similar to 2-Fluoro-3-trifluoromethylbenzoic acid, 2-nitro-5-fluorophenyl ester.

Sources

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