Chemical Properties of Benzoic acid, 3,5-dinitro-

InChI

InChI=1S/C7H4N2O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H,(H,10,11)

InChI Key

VYWYYJYRVSBHJQ-UHFFFAOYSA-N

Formula

C7H4N2O6

SMILES

O=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

Molecular Weight¹

212.12

Other Names

• 3,5-dinitrobenzoic acid
• 3-Carboxy-1,5-Dinitrobenzene
• DNBA
• Dinitrobenzoic acid

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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	[337.32; 363.88]	J/mol×K	[845.93; 1098.09]
Cp,gas	337.32	J/mol×K	845.93	Joback Calculated Property
Cp,gas	343.27	J/mol×K	887.96	Joback Calculated Property
Cp,gas	348.56	J/mol×K	929.98	Joback Calculated Property
Cp,gas	353.23	J/mol×K	972.01	Joback Calculated Property
Cp,gas	357.31	J/mol×K	1014.04	Joback Calculated Property
Cp,gas	360.85	J/mol×K	1056.06	Joback Calculated Property
Cp,gas	363.88	J/mol×K	1098.09	Joback Calculated Property
ΔfusH	22.80	kJ/mol	480.40	NIST

Similar Compounds

Find more compounds similar to Benzoic acid, 3,5-dinitro-.

Mixtures

• Benzoic acid, 3,5-dinitro- + Carbon dioxide
• Benzoic acid, 3,5-dinitro- + Carbon dioxide + Benzoic acid, 3-nitro-
• Benzoic acid, 3,5-dinitro- + Acetone
• Benzoic acid, 3,5-dinitro- + Benzoic acid, 3-nitro- + Acetone
• Benzoic acid, 3,5-dinitro- + Carbon dioxide + Ethanol
• Benzoic acid, 3,5-dinitro- + Carbon dioxide + Ethyl Acetate
• Benzoic acid, 3,5-dinitro- + Carbon dioxide + 1,2-Ethanediol
• 1-Propanol + Benzoic acid, 3,5-dinitro- + Carbon dioxide

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Determination and modeling of binary and ternary solid-liquid phase equilibrium for the systems formed by 3,5-dinitrobenzoic acid, m-nitrobenzoic acid and acetone
• Equilibrium solubility of pure and mixed 3,5-dinitrobenzoic acid and 3-nitrobenzoic acid in supercritical carbon dioxide
• Solubility of 3,5-Dinitrobenzoic Acid in Supercritical Carbon Dioxide with Cosolvent at Temperatures from (308 to 328) K and Pressures from (10.0 to 21.0) MPa
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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