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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[221.16; 524.64]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-3.74600e+01
Coefficient B			1.14192e+00
Coefficient C			-7.62720e-04
Coefficient D			1.82900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	221.16	J/mol×K	273.00	Calculated Property
Cp,gas	279.16	J/mol×K	353.78	Calculated Property
Cp,gas	329.75	J/mol×K	434.56	Calculated Property
Cp,gas	373.49	J/mol×K	515.33	Calculated Property
Cp,gas	410.96	J/mol×K	596.11	Calculated Property
Cp,gas	442.75	J/mol×K	676.89	Calculated Property
Cp,gas	469.44	J/mol×K	757.67	Calculated Property
Cp,gas	491.60	J/mol×K	838.44	Calculated Property
Cp,gas	509.80	J/mol×K	919.22	Calculated Property
Cp,gas	524.64	J/mol×K	1000.00	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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