Chemical Properties of 9,10-Anthracenedione, 1,4-diamino-5-nitro-

InChI

InChI=1S/C14H9N3O4/c15-7-4-5-8(16)12-11(7)13(18)6-2-1-3-9(17(20)21)10(6)14(12)19/h1-5H,15-16H2

InChI Key

SDICTISQCKLMEB-UHFFFAOYSA-N

Formula

C14H9N3O4

SMILES

Nc1ccc(N)c2c1C(=O)c1cccc([N+](=O)[O-])c1C2=O

Molecular Weight¹

283.24

Other Names

• 1,4-Diamino-5-nitroanthraquinone
• 5-Nitro-1,4-diaminoanthraquinone
• Anthraquinone, 1,4-diamino-5-nitro-
• C.I. 62030
• C.I. Disperse Violet 8
• Celliton Fast Violet B
• Celliton Fast Violet BA-CF
• Celliton Violet B
• Cibacet Brilliant Violet 3B
• Cilla Fast Violet B
• Diacelliton Fast Violet B
• Dianix Fast Violet B
• Disperse Violet 2S
• Disperse Violet 8
• Duranol Brilliant Blue Violet BR
• Duranol Brilliant Violet BR
• Fenacet Fast Violet B
• Kayalon Fast Violet BR
• Miketon Fast Violet B
• NSC 81260
• Nitrocresolamine
• Palanil Violet 3B
• Perliton Violet B
• Samaron Brilliant Violet B
• Serisol Fast Violet B
• Supracet Fast Violet B
• Terasil Brilliant Violet 3B
• Violet 2S
• Vonteryl Violet 2B

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[260.56; 577.08]	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			3.41200e+01
Coefficient B			9.52060e-01
Coefficient C			-4.64200e-04
Coefficient D			5.51000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	260.56	J/mol×K	273.00	Calculated Property
Cp,gas	315.28	J/mol×K	353.78	Calculated Property
Cp,gas	364.71	J/mol×K	434.56	Calculated Property
Cp,gas	409.01	J/mol×K	515.33	Calculated Property
Cp,gas	448.37	J/mol×K	596.11	Calculated Property
Cp,gas	482.96	J/mol×K	676.89	Calculated Property
Cp,gas	512.95	J/mol×K	757.67	Calculated Property
Cp,gas	538.52	J/mol×K	838.44	Calculated Property
Cp,gas	559.84	J/mol×K	919.22	Calculated Property
Cp,gas	577.08	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 9,10-Anthracenedione, 1,4-diamino-5-nitro-.

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

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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