Chemical Properties of 2(1H)-Quinoxalinone, 3-methyl- (CAS 14003-34-0)

InChI

InChI=1S/C9H8N2O/c1-6-9(12)11-8-5-3-2-4-7(8)10-6/h2-5H,1H3,(H,11,12)

InChI Key

BMIMNRPAEPIYDN-UHFFFAOYSA-N

Formula

C9H8N2O

SMILES

Cc1nc2ccccc2[nH]c1=O

Molecular Weight¹

160.17

CAS

14003-34-0

Other Names

• 2-Hydroxy-3-methylquinoxaline
• 3-Methyl-2-quinoxalone
• 2-Quinoxalinol, 3-methyl-
• 3-Methyl-2-quinoxalinol
• 3-Hydroxy-2-methylquinoxaline
• USAF el-7
• 3-Methyl-2(1H)-quinoxalinone
• 3-methylquinoxalin-2-ol
• 2-Methyl-3-hydroxyquinoxaline

• Δ_fH°_gas : 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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
ΔfH°gas	15.83	kJ/mol	Relay (1.0) Calculated Property
ΔsubH°	[119.70; 123.00]	kJ/mol
ΔsubH°	119.70 ± 2.80	kJ/mol	NIST
ΔsubH°	123.00 ± 4.40	kJ/mol	NIST
log10WS	-1.38		Relay (1.0) Calculated Property
logPoct/wat	0.750		Crippen Calculated Property
McVol	120.280	ml/mol	McGowan Calculated Property
Tfus	494.68	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, Ionization energy 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.

Temperature Dependent Properties

Similar Compounds

Find more compounds similar to 2(1H)-Quinoxalinone, 3-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

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