Chemical Properties of 2,6-Difluoro-3-methylbenzoic acid, 2-nitro-5-fluorophenyl ester

2,6-Difluoro-3-methylbenzoic acid, 2-nitro-5-fluorophenyl ester

InChI
InChI=1S/C14H8F3NO4/c1-7-2-4-9(16)12(13(7)17)14(19)22-11-6-8(15)3-5-10(11)18(20)21/h2-6H,1H3
InChI Key
QCJJZJLJSOZVNE-UHFFFAOYSA-N
Formula
C14H8F3NO4
SMILES
Cc1ccc(F)c(C(=O)Oc2cc(F)ccc2[N+](=O)[O-])c1F
Molecular Weight1
311.21
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Physical Properties

Property Value Unit Source
ΔfusH° 43.12 kJ/mol Joback Calculated Property
logPoct/wat 3.540 Crippen Calculated Property
McVol 190.770 ml/mol McGowan Calculated Property
Inp [2109.00; 2109.00]   Show Hide
Inp 2109.00 NIST
Inp 2109.00 NIST
Tboil 604.26 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 [268.82; 564.90] 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 A4.30200e+01
Coefficient B9.58480e-01
Coefficient C-4.98000e-04
Coefficient D6.14000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 268.82 J/mol×K 273.00 Calculated Property
Cp,gas 322.50 J/mol×K 353.78 Calculated Property
Cp,gas 370.53 J/mol×K 434.56 Calculated Property
Cp,gas 413.11 J/mol×K 515.33 Calculated Property
Cp,gas 450.42 J/mol×K 596.11 Calculated Property
Cp,gas 482.67 J/mol×K 676.89 Calculated Property
Cp,gas 510.05 J/mol×K 757.67 Calculated Property
Cp,gas 532.75 J/mol×K 838.44 Calculated Property
Cp,gas 550.97 J/mol×K 919.22 Calculated Property
Cp,gas 564.90 J/mol×K 1000.00 Calculated Property

Similar Compounds

2,6-Difluoro-3-methylbenzoic acid, 4-nitrophenyl ester. 2-Fluoro-3-trifluoromethylbenzoic acid, 2-nitro-5-fluorophenyl ester. 2,5-Difluorobenzoic acid, 2-nitro-5-fluorophenyl ester. 2,4-Difluorobenzoic acid, 2-nitro-5-fluorophenyl ester. 2,6-Difluoro-3-methylbenzoic acid, 3-fluorophenyl ester. p-Toluic acid, 5-fluoro-2-nitrophenyl ester. 3-Fluoro-5-trifluoromethylbenzoic acid, 2-nitro-5-fluorophenyl ester. Isophthalic acid, 2-nitro-5-fluorophenyl propyl ester. Isophthalic acid, ethyl 2-nitro-5-fluorophenyl ester. Isophthalic acid, butyl 2-nitro-5-fluorophenyl ester. Isophthalic acid, 2-nitro-5-fluorophenyl pentyl ester. Isophthalic acid, isobutyl 2-nitro-5-fluorophenyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 2-nitro-5-fluorophenyl ester. Isophthalic acid, hexyl 2-nitro-5-fluorophenyl ester. 3-Chloro-2-fluorobenzoic acid, 2-nitro-5-fluorophenyl ester.

Find more compounds similar to 2,6-Difluoro-3-methylbenzoic acid, 2-nitro-5-fluorophenyl ester.

Sources

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