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

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

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• 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
logPoct/wat	0.107		Crippen Calculated Property
McVol	112.060	ml/mol	McGowan Calculated Property
Tfus	483.05	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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.

Similar Compounds

Find more compounds similar to Quindoxin.

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
• 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.
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