Chemical Properties of 2,4-dinitrodiphenylamine

InChI

InChI=1S/C12H9N3O4/c16-14(17)10-6-7-11(12(8-10)15(18)19)13-9-4-2-1-3-5-9/h1-8,13H

InChI Key

RHTVQEPJVKUMPI-UHFFFAOYSA-N

Formula

C12H9N3O4

SMILES

O=[N+]([O-])c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1

Molecular Weight¹

259.22

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (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	[503.93; 548.09]	J/mol×K	[891.33; 1176.12]
Cp,gas	503.93	J/mol×K	891.33	Joback Calculated Property
Cp,gas	513.69	J/mol×K	938.80	Joback Calculated Property
Cp,gas	522.33	J/mol×K	986.26	Joback Calculated Property
Cp,gas	529.97	J/mol×K	1033.73	Joback Calculated Property
Cp,gas	536.74	J/mol×K	1081.19	Joback Calculated Property
Cp,gas	542.74	J/mol×K	1128.66	Joback Calculated Property
Cp,gas	548.09	J/mol×K	1176.12	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,4-dinitrodiphenylamine.

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
• Crippen Method
• Measurement and prediction of (solid + liquid) equilibria of gun powder's and propellant's stabilizers mixtures
• Joback Method
• McGowan Method

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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