Chemical Properties of 1,5-DIAMINOANTHRAQUINONE

InChI

InChI=1S/C14H10N2O2/c15-9-5-1-3-7-11(9)14(18)8-4-2-6-10(16)12(8)13(7)17/h1-6H,15-16H2

InChI Key

VWBVCOPVKXNMMZ-UHFFFAOYSA-N

Formula

C14H10N2O2

SMILES

Nc1cccc2c1C(=O)c1cccc(N)c1C2=O

Molecular Weight¹

238.25

Other Names

• 1,5-Anthraquinonyldiamine
• 1,5-Daa
• 1,5-Diamino-9,10-anthraquinone
• 1,5-Diaminoanthrachinon
• 9,10-Anthracenedione, 1,5-diamino-
• Anthraquinone, 1,5-diamino-
• C.I. Disperse Red II
• NSC 63791
• NSC 7213
• Smoke Red F

• 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).
• 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 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.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[230.84; 533.89]	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			1.43300e+01
Coefficient B			9.12200e-01
Coefficient C			-4.52840e-04
Coefficient D			6.02000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	230.84	J/mol×K	273.00	Calculated Property
Cp,gas	283.03	J/mol×K	353.78	Calculated Property
Cp,gas	330.16	J/mol×K	434.56	Calculated Property
Cp,gas	372.40	J/mol×K	515.33	Calculated Property
Cp,gas	409.94	J/mol×K	596.11	Calculated Property
Cp,gas	442.98	J/mol×K	676.89	Calculated Property
Cp,gas	471.70	J/mol×K	757.67	Calculated Property
Cp,gas	496.30	J/mol×K	838.44	Calculated Property
Cp,gas	516.97	J/mol×K	919.22	Calculated Property
Cp,gas	533.89	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1,5-DIAMINOANTHRAQUINONE.

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.
These property values are available through the Cheméo API. A free account gives you an access key.