Chemical Properties of Quinoxaline, 2-methyl- (CAS 7251-61-8)

InChI

InChI=1S/C9H8N2/c1-7-6-10-8-4-2-3-5-9(8)11-7/h2-6H,1H3

InChI Key

ALHUXMDEZNLFTA-UHFFFAOYSA-N

Formula

C9H8N2

SMILES

Cc1cnc2ccccc2n1

Molecular Weight¹

144.17

CAS

7251-61-8

Other Names

• 2-Methylquinoxaline

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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).
• 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	0.4093		Relay (1.0) Calculated Property
ΔfG°	260.15	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	205.27	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	66.20	kJ/mol	Relay (1.0) Calculated Property
IE	8.66	eV	Relay (1.0) Calculated Property
log10WS	-1.27		Relay (1.0) Calculated Property
logPoct/wat	1.938		Crippen Calculated Property
McVol	114.410	ml/mol	McGowan Calculated Property
Pc	4867.74	kPa	Relay (1.0-beta) Calculated Property
Inp	[1262.00; 1304.00]
Inp	1272.00		NIST
Inp	1262.00		NIST
Inp	1304.00		NIST
Inp	1272.00		NIST
Inp	1262.00		NIST
I	[1936.00; 1941.00]
I	1936.00		NIST
I	1941.00		NIST
I	1936.00		NIST
Tboil	519.20	K	NIST
Tc	801.34	K	Relay (1.0) Calculated Property
Tfus	317.92	K	Relay (1.0) Calculated Property
Vc	0.440	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Quinoxaline, 2-methyl-.

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.