Chemical Properties of 2,5-Difluorobenzoic acid, 4-nitrophenyl ester

2,5-Difluorobenzoic acid, 4-nitrophenyl ester

InChI
InChI=1S/C13H7F2NO4/c14-8-1-6-12(15)11(7-8)13(17)20-10-4-2-9(3-5-10)16(18)19/h1-7H
InChI Key
AVQKHGLGGQZWJR-UHFFFAOYSA-N
Formula
C13H7F2NO4
SMILES
O=C(Oc1ccc([N+](=O)[O-])cc1)c1cc(F)ccc1F
Molecular Weight1
279.20
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Physical Properties

Property Value Unit Source
ΔfusH° 36.65 kJ/mol Joback Calculated Property
IE 9.27 eV Relay (1.0) Calculated Property
log10WS -4.66 Relay (1.0) Calculated Property
logPoct/wat 3.092 Crippen Calculated Property
McVol 174.910 ml/mol McGowan Calculated Property
Inp 2118.00 NIST
Tboil 604.43 K Relay (1.0) Calculated Property
Tfus 368.60 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 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 [469.72; 516.82] J/mol×K [791.81; 1038.35] Show Hide
Cp,gas 469.72 J/mol×K 791.81 Joback Calculated Property
Cp,gas 480.06 J/mol×K 832.90 Joback Calculated Property
Cp,gas 489.35 J/mol×K 873.99 Joback Calculated Property
Cp,gas 497.64 J/mol×K 915.08 Joback Calculated Property
Cp,gas 504.96 J/mol×K 956.17 Joback Calculated Property
Cp,gas 511.34 J/mol×K 997.26 Joback Calculated Property
Cp,gas 516.82 J/mol×K 1038.35 Joback Calculated Property

Similar Compounds

2-Fluorobenzoic acid, 4-nitrophenyl ester. 3-Fluorobenzoic acid, 4-nitrophenyl ester. 2,3,4-Trifluorobenzoic acid, 4-nitrophenyl ester. 2,4-Difluorobenzoic acid, 4-nitrophenyl ester. 2,6-Difluorobenzoic acid, 4-nitrophenyl ester. 3,4-Difluorobenzoic acid, 4-nitrophenyl ester. 2,5-Difluorobenzoic acid, phenyl ester. 2,5-Difluorobenzoic acid, 4-cyanophenyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 4-nitrophenyl ester. 3-Chloro-2-fluorobenzoic acid, 4-nitrophenyl ester. 2,5-Difluorobenzoic acid, 2-nitro-5-fluorophenyl ester. 2,5-Difluorobenzoic acid, 4-chlorophenyl ester. 2-Fluoro-3-trifluoromethylbenzoic acid, 4-nitrophenyl ester. 2,5-Difluorobenzoic acid, 4-methoxyphenyl ester. 4-Fluorobenzoic acid, 4-nitrophenyl ester.

Find more compounds similar to 2,5-Difluorobenzoic acid, 4-nitrophenyl ester.

Sources

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