Chemical Properties of Phenol, 4-[(2,4-dinitrophenyl)amino]-

InChI

InChI=1S/C12H9N3O5/c16-10-4-1-8(2-5-10)13-11-6-3-9(14(17)18)7-12(11)15(19)20/h1-7,13,16H

InChI Key

BCPQALWAROJVLE-UHFFFAOYSA-N

Formula

C12H9N3O5

SMILES

O=[N+]([O-])c1ccc(Nc2ccc(O)cc2)c([N+](=O)[O-])c1

Molecular Weight¹

275.22

Other Names

• 2,4-Dinitro-4'-hydroxydiphenylamine
• 2,4-Dinitro-p-hydroxydiphenylamine
• 4'-Hydroxy-2,4-dinitrodiphenylamine
• 4-(2,4-Dinitroanilino)phenol
• 4-Hydroxy-2',4'-dinitrodiphenylamine
• 4-[(2,4-Dinitrophenyl)amino]phenol
• Acetamine Yellow 2R
• Acetoquinone Light Yellow 2RZ
• Amacel Yellow RR
• C.I. 10345
• C.I. Disperse Yellow 1
• C.I. Solvent Yellow 52
• Celliton Fast Yellow RR
• Celliton Fast Yellow RRA-CF
• Cilla Fast Yellow RR
• Disperse Fast Yellow 2K
• Disperse Yellow R
• Disperse yellow stable 2K
• Dispersol Fast Yellow A
• Dispersol Printing Yellow A
• Dispersol yellow B-A
• Fast Disperse Yellow 2K
• Fenacet Fast Yellow 2R
• Kayalon Fast Yellow RR
• Microsetile Yellow 2R
• N-(2,4-Dinitrophenyl)-N-(4-hydroxyphenyl)amine
• N-2,4-Dinitrophenyl-4-aminophenol
• NSC 13965
• Nyloquinone Yellow 2R
• Perliton Yellow RR
• Permanent Yellow 2K
• Phenol, p-(2,4-dinitroanilino)-
• Reliton Yellow R
• SRA Golden Yellow VIII
• Serisol Fast Yellow A
• Setacyl Yellow P-BS
• Supracet Fast Yellow 2R
• Supracet Yellow RR
• Synten yellow P 2R
• p-(2,4-Dinitroanilino)phenol

• 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_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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[238.05; 547.06]	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			-4.63800e+01
Coefficient B			1.29652e+00
Coefficient C			-1.01908e-03
Coefficient D			3.16000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	238.05	J/mol×K	273.00	Calculated Property
Cp,gas	298.75	J/mol×K	353.78	Calculated Property
Cp,gas	350.52	J/mol×K	434.56	Calculated Property
Cp,gas	394.37	J/mol×K	515.33	Calculated Property
Cp,gas	431.30	J/mol×K	596.11	Calculated Property
Cp,gas	462.30	J/mol×K	676.89	Calculated Property
Cp,gas	488.38	J/mol×K	757.67	Calculated Property
Cp,gas	510.53	J/mol×K	838.44	Calculated Property
Cp,gas	529.76	J/mol×K	919.22	Calculated Property
Cp,gas	547.06	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Phenol, 4-[(2,4-dinitrophenyl)amino]-.

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
• Joback Method
• McGowan Method
• NIST Webbook

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.
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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