Chemical Properties of Quinoxaline (CAS 91-19-0)

InChI

InChI=1S/C8H6N2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-6H

InChI Key

XSCHRSMBECNVNS-UHFFFAOYSA-N

Formula

C8H6N2

SMILES

c1ccc2nccnc2c1

Molecular Weight¹

130.15

CAS

91-19-0

Other Names

• 1,4-Diazanaphthalene
• 1,4-Naphthyridine
• 1,4-benzodiazine
• Benzo[a]pyrazine
• Benzoparadiazine
• Benzopyrazine
• Phenopiazine
• Phenpiazine
• Quinazine
• USAF EK-7094

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• EA : Electron affinity (eV).
• 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 a given temperature (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).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• 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
PAff	903.80	kJ/mol	NIST
BasG	873.70	kJ/mol	NIST
ΔcH°solid	-4179.30 ± 2.40	kJ/mol	NIST
EA	0.71 ± 0.10	eV	NIST
ΔfH°gas	240.30 ± 3.30	kJ/mol	NIST
ΔfH°solid	173.70 ± 2.60	kJ/mol	NIST
ΔsubH°	[66.60; 69.40]	kJ/mol
ΔsubH°	66.60 ± 2.00	kJ/mol	NIST
ΔsubH°	66.60	kJ/mol	NIST
ΔsubH°	66.60 ± 2.00	kJ/mol	NIST
ΔsubH°	69.40 ± 0.60	kJ/mol	NIST
IE	[8.99; 9.02]	eV
IE	9.01 ± 0.01	eV	NIST
IE	9.01	eV	NIST
IE	8.99	eV	NIST
IE	9.02 ± 0.01	eV	NIST
IE	9.00	eV	NIST
log10WS	-2.81		Crippen Calculated Property
logPoct/wat	1.630		Crippen Calculated Property
McVol	100.320	ml/mol	McGowan Calculated Property
Inp	[220.37; 1229.00]
Inp	1169.00		NIST
Inp	1229.00		NIST
Inp	220.37		NIST
I	[1879.00; 1905.00]
I	1905.00		NIST
I	1886.00		NIST
I	1879.00		NIST
Tboil	[494.70; 502.70]	K
Tboil	494.70	K	NIST
Tboil	502.70	K	NIST
Tfus	306.00 ± 0.10	K	NIST

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔfusH	[11.80; 11.80]	kJ/mol	[305.70; 305.70]
ΔfusH	11.80	kJ/mol	305.70	NIST
ΔfusH	11.80	kJ/mol	305.70	NIST
ΔsubH	69.39	kJ/mol	298.15	NIST
ΔvapH	58.70	kJ/mol	298.00	Study o...

Similar Compounds

Find more compounds similar to Quinoxaline.

Sources

• Crippen Method
• Crippen Method
• Study of the Anomalous Thermochemical Behavior of 1,2-Diazines by Correlation-Gas Chromatography
• McGowan Method
• NIST Webbook

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