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

Other Names

• 2,4-dinitro-N-phenylaniline
• Acetoquinone Yellow 5JZ
• C.I. 10340
• C.I. Disperse Yellow 14
• Diphenylamine, 2,4-dinitro-
• N-(2,4-Dinitrophenyl)aniline
• N-Phenyl-2,4-dinitroaniline
• NSC 6150
• Serisol Yellow 2G
• Supracet Yellow 3G
• o,p-Dinitrodiphenylamine
• Benzenamine, 2,4-dinitro-N-phenyl-

• 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_subH : Enthalpy of sublimation 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
ΔsubH	[147.60; 156.60]	kJ/mol	[411.00; 448.50]
ΔsubH	147.60	kJ/mol	411.00	NIST
ΔsubH	156.60	kJ/mol	448.50	NIST

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

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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
• NIST Webbook

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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