Chemical Properties of Quindoxin (CAS 2423-66-7)

InChI

InChI=1S/C8H6N2O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H

InChI Key

CKIHZSGJPSDCNC-UHFFFAOYSA-N

Formula

C8H6N2O2

SMILES

[O-][n+]1cc[n+]([O-])c2ccccc21

Molecular Weight¹

162.15

CAS

2423-66-7

Other Names

• Quinoxaline, 1,4-dioxide
• Bayo N-Ox
• BAY-Va 9391
• Celbar
• Grofas
• ICI 8173
• Quinoxaline di-N-oxide
• Quinoxaline dioxide
• Quinoxaline 1,4-di-N-oxide
• USAF H-1
• Chindoxin
• Chinoxalin-1,4-dioxid
• NSC 193508
• NSC 21653

• 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_subH° : Enthalpy of sublimation 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	-4120.70 ± 0.90	kJ/mol	NIST
ΔfH°gas	227.10 ± 2.40	kJ/mol	NIST
ΔfH°solid	115.10 ± 1.40	kJ/mol	NIST
ΔsubH°	[112.00; 112.00]	kJ/mol
ΔsubH°	112.00 ± 1.90	kJ/mol	NIST
ΔsubH°	112.00 ± 1.90	kJ/mol	NIST
IE	7.98 ± 0.05	eV	NIST
log10WS	-6.33		Crippen Calculated Property
logPoct/wat	0.107		Crippen Calculated Property
McVol	112.060	ml/mol	McGowan Calculated Property

Similar Compounds

Find more compounds similar to Quindoxin.

Sources

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

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