Quindoxin

Formula: C₈H₆N₂O₂
Molecular weight: 162.1454
IUPAC Standard InChI: InChI=1S/C8H6N2O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H
IUPAC Standard InChIKey: CKIHZSGJPSDCNC-UHFFFAOYSA-N
CAS Registry Number: 2423-66-7
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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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
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NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)

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Gas phase thermochemistry data

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Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity	Value	Units	Method	Reference	Comment
Δ_fH°_gas	227.1 ± 2.4	kJ/mol	Ccb	Acree, Powell, et al., 1997

Phase change data

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Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos

Quantity	Value	Units	Method	Reference	Comment
Δ_subH°	112.0 ± 1.9	kJ/mol	C	Acree, Powell, et al., 1997	ALS
Δ_subH°	112.0 ± 1.9	kJ/mol	C	Acree, Powell, et al., 1997	AC

Gas phase ion energetics data

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Data compiled by: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

View reactions leading to C₈H₆N₂O₂⁺ (ion structure unspecified)

Ionization energy determinations

IE (eV)	Method	Reference	Comment
7.98 ± 0.05	PE	Maier, Muller, et al., 1975	Vertical value

References

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Acree, Powell, et al., 1997
Acree, W.E., Jr.; Powell, J.R.; Tucker, S.A.; Ribeiro da Silva, M.D.M.C.; Matos, M.A.R.; Goncalves, J.M.; Santos, L.M.N.B.F.; Morais, V.M.F.; Pilcher, G., Thermochemical and theroretical study of some quinoxaline 1,4-dioxides and pyrazine 1,4-dioxide, J. Org. Chem., 1997, 62, 3722-3726. [all data]

Maier, Muller, et al., 1975
Maier, J.P.; Muller, J.-F.; Kubota, T.; Yamakawa, M., 183. Ionisation energies and the electronic structures of the N-oxides of azanaphthalenes and azaanthracenes, Helv. Chim. Acta, 1975, 58, 1641. [all data]

Notes

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Symbols used in this document:

Δ_fH°_gas Enthalpy of formation of gas at standard conditions

Δ_subH° Enthalpy of sublimation at standard conditions
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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Δ_fH°_gas	Enthalpy of formation of gas at standard conditions
Δ_subH°	Enthalpy of sublimation at standard conditions