Chemical Properties of Benzoic acid, 2,5-difluoro-4-nitro (CAS 116465-48-6)

Benzoic acid, 2,5-difluoro-4-nitro

InChI
InChI=1S/C7H3F2NO4/c8-4-2-6(10(13)14)5(9)1-3(4)7(11)12/h1-2H,(H,11,12)
InChI Key
GPTNSBLYGCZJQV-UHFFFAOYSA-N
Formula
C7H3F2NO4
SMILES
O=C(O)c1cc(F)c([N+](=O)[O-])cc1F
Molecular Weight1
203.10
CAS
116465-48-6
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Physical Properties

Property Value Unit Source
ΔfusH° 34.42 kJ/mol Joback Calculated Property
log10WS -2.96 Relay (1.0) Calculated Property
logPoct/wat 1.571 Crippen Calculated Property
McVol 114.130 ml/mol McGowan Calculated Property
Tboil 523.59 K Relay (1.0) Calculated Property
Tfus 411.25 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 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 [283.25; 317.44] J/mol×K [697.27; 933.22] Show Hide
Cp,gas 283.25 J/mol×K 697.27 Joback Calculated Property
Cp,gas 290.32 J/mol×K 736.60 Joback Calculated Property
Cp,gas 296.80 J/mol×K 775.92 Joback Calculated Property
Cp,gas 302.72 J/mol×K 815.25 Joback Calculated Property
Cp,gas 308.11 J/mol×K 854.57 Joback Calculated Property
Cp,gas 313.01 J/mol×K 893.90 Joback Calculated Property
Cp,gas 317.44 J/mol×K 933.22 Joback Calculated Property

Similar Compounds

Benzoic acid, 3-fluoro-4-nitro-. 2,5-Difluorobenzoic acid, 4-nitrophenyl ester. 4-Fluoro-3-nitrobenzoic acid. 2,5-Difluorobenzoic acid, 2-nitro-5-fluorophenyl ester. 2,3,4-Trifluorobenzoic acid, 4-nitrophenyl ester. 2,4-Difluorobenzoic acid, 4-nitrophenyl ester. Glutamic acid, n-(2,5-difluoro-4-nitrobenzoyl)-. 2,4,5-Trifluoro-3-methoxybenzoic acid, 4-nitrophenyl ester. 4-Amino-3-fluorobenzoic acid. 2-Fluorobenzoic acid, 4-nitrophenyl ester. 2,5-Difluorobenzoic acid. Terephthalic acid, ethyl 2-fluoro-5-nitrobenzyl ester. 2,4-Difluorobenzoic acid, 2-nitro-5-fluorophenyl ester. Benzoic acid, (2-fluoro-5-nitrophenyl)methyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 4-nitrophenyl ester.

Find more compounds similar to Benzoic acid, 2,5-difluoro-4-nitro.

Sources

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