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-

• Δ_cH°_solid : Standard solid enthalpy of combustion (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).
• ρ_s : Solid Density (kg/m³).
• 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

Property	Value	Unit	Source
ΔcH°solid	-4283.40 ± 1.10	kJ/mol	NIST
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
ΔsubH°	86.14	kJ/mol	NIST
ΔvapH°	93.04	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
Tboil	602.77	K	Relay (1.0) Calculated Property
Tfus	410.99	K	Relay (1.0) Calculated Property

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

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

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

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