Chemical Properties of 3-Nitroalizarine (CAS 568-93-4)

InChI

InChI=1S/C14H7NO6/c16-11-6-3-1-2-4-7(6)12(17)10-8(11)5-9(15(20)21)13(18)14(10)19/h1-5,18-19H

InChI Key

XZSUEVFAMOKROK-UHFFFAOYSA-N

Formula

C14H7NO6

SMILES

O=C1c2ccccc2C(=O)c2c1cc([N+](=O)[O-])c(O)c2O

Molecular Weight¹

285.21

CAS

568-93-4

Other Names

• 1,2-dihydroxy-3-nitroanthraquinone

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[567.34; 658.88]	J/mol×K	[1043.88; 1339.00]
Cp,gas	567.34	J/mol×K	1043.88	Joback Calculated Property
Cp,gas	580.31	J/mol×K	1093.07	Joback Calculated Property
Cp,gas	593.86	J/mol×K	1142.25	Joback Calculated Property
Cp,gas	608.24	J/mol×K	1191.44	Joback Calculated Property
Cp,gas	623.71	J/mol×K	1240.63	Joback Calculated Property
Cp,gas	640.51	J/mol×K	1289.81	Joback Calculated Property
Cp,gas	658.88	J/mol×K	1339.00	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Nitroalizarine.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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