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

• ω : Acentric Factor.
• 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 standard conditions (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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3817		Relay (1.0) Calculated Property
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
ΔvapH°	64.86	kJ/mol	Relay (1.0) Calculated Property
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	-1.21		Relay (1.0) Calculated Property
logPoct/wat	1.630		Crippen Calculated Property
McVol	100.320	ml/mol	McGowan Calculated Property
Pc	5564.58	kPa	Relay (1.0-beta) Calculated Property
Inp	[220.37; 1229.00]
Inp	1169.00		NIST
Inp	1229.00		NIST
Inp	220.37		NIST
Inp	1229.00		NIST
I	[1879.00; 1905.00]
I	1905.00		NIST
I	1886.00		NIST
I	1879.00		NIST
I	1905.00		NIST
I	1879.00		NIST
Tboil	[494.70; 502.70]	K
Tboil	494.70	K	NIST
Tboil	502.70	K	NIST
Tc	787.27	K	Relay (1.0) Calculated Property
Tfus	306.00 ± 0.10	K	NIST
Vc	0.382	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

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 of the Anomalous Thermochemical Behavior of 1,2-Diazines by Correlation-Gas Chromatography

Similar Compounds

Find more compounds similar to Quinoxaline.

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
• Study of the Anomalous Thermochemical Behavior of 1,2-Diazines by Correlation-Gas Chromatography
• 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.