Chemical Properties of Nitroxoline (CAS 4008-48-4)

InChI

InChI=1S/C9H6N2O3/c12-8-4-3-7(11(13)14)6-2-1-5-10-9(6)8/h1-5,12H

InChI Key

RJIWZDNTCBHXAL-UHFFFAOYSA-N

Formula

C9H6N2O3

SMILES

O=[N+]([O-])c1ccc(O)c2ncccc12

Molecular Weight¹

190.16

CAS

4008-48-4

Other Names

• 5-NOK
• 5-Nitro-8-hydroxyquinoline
• 5-Nitro-8-oxychinoline
• 5-Nitro-8-oxyquinoline
• 5-Nitro-quinolin-8-ol
• 5-Nitroks
• 5-Nitrox
• 5-Nitroxine
• 5-nitro-8-quinolinol
• 8-Quinolinol, 5-nitro-
• 8-hydroxy-5-nitroquinoline
• A-82
• BAS 58
• NSC 74947
• Nibiol
• Nitroxolin
• Noxibiol
• Noxin
• Quinolin-8-ol, 5-nitro-

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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 a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation 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).
• P_c : Critical Pressure (kPa).
• ρ_s : Solid Density (kg/m³).
• 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

Property	Value	Unit	Source
ω	0.6811		Relay (1.0) Calculated Property
ΔcH°solid	-4283.40 ± 1.10	kJ/mol	NIST
ΔfG°	167.87	kJ/mol	Relay (1.0-beta) Calculated Property ⚠️
ΔfH°gas	-1.70 ± 2.80	kJ/mol	NIST
ΔfH°solid	-115.70 ± 1.70	kJ/mol	NIST
ΔsubH°	[86.14; 114.10]	kJ/mol
ΔsubH°	86.14	kJ/mol	NIST
ΔsubH°	114.10 ± 2.20	kJ/mol	NIST
ΔsubH°	114.10 ± 2.20	kJ/mol	NIST
ΔsubH°	111.20 ± 3.00	kJ/mol	NIST
ΔvapH°	93.42	kJ/mol	Relay (1.0) Calculated Property
IE	8.76	eV	Relay (1.0) Calculated Property
log10WS	-2.76		Relay (1.0) Calculated Property
logPoct/wat	1.849		Crippen Calculated Property
McVol	127.720	ml/mol	McGowan Calculated Property
Pc	5460.48	kPa	Relay (1.0-beta) Calculated Property ⚠️
Tboil	602.77	K	Relay (1.0) Calculated Property
Tc	937.04	K	Relay (1.0) Calculated Property
Tfus	402.87	K	Relay (1.0) Calculated Property
Vc	0.444	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔfusH	[19.61; 24.70]	kJ/mol	[453.20; 455.20]
ΔfusH	24.70	kJ/mol	453.20	NIST
ΔfusH	19.61	kJ/mol	455.20	NIST
ΔsubH	81.66	kJ/mol	433.00	NIST
ρs	1489.70	kg/m3	298.15	Solubility determination and thermodynamic modeling of 5-nitro-8- hydroxyquinoline in ten organic solvents from T = (278.15 to 313.15) K and mixing properties of solutions

Similar Compounds

Find more compounds similar to Nitroxoline.

Mixtures

• Nitroxoline + Methyl Alcohol
• Ethanol + Nitroxoline
• 1-Propanol + Nitroxoline
• Isopropyl Alcohol + Nitroxoline
• Nitroxoline + Ethyl Acetate
• Nitroxoline + Acetone
• Acetonitrile + Nitroxoline
• Toluene + Nitroxoline
• Nitroxoline + Acetic acid
• Nitroxoline + 1-Butanol
• Nitroxoline + Carbon Tetrachloride
• Nitroxoline + Ethyl Acetate + Methyl Alcohol
• Ethanol + Nitroxoline + Ethyl Acetate
• 1-Propanol + Nitroxoline + Ethyl Acetate
• Isopropyl Alcohol + Nitroxoline + Ethyl Acetate

Sources

• 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
• Solubility determination and thermodynamic modeling of 5-nitro-8- hydroxyquinoline in ten organic solvents from T = (278.15 to 313.15) K and mixing properties of solutions
• Solubility modelling, solution thermodynamics and preferential solvation for nitroxoline in solvent mixtures of ethyl acetate + (methanol, ethanol, n-propanol and isopropanol)
• McGowan Method
• NIST Webbook

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