Chemical Properties of 2(1H)-Quinoxalinone (CAS 1196-57-2)

InChI

InChI=1S/C8H6N2O/c11-8-5-9-6-3-1-2-4-7(6)10-8/h1-5H,(H,10,11)

InChI Key

FFRYUAVNPBUEIC-UHFFFAOYSA-N

Formula

C8H6N2O

SMILES

O=c1cnc2ccccc2[nH]1

Molecular Weight¹

146.15

CAS

1196-57-2

Other Names

• Quinoxalin-2-one
• 2-Hydroxyquinoxaline
• 2-Quinoxalinol
• 2-Quinoxalinone
• 3-Quinoxalinone
• 1,2-Dihydroquinoxalin-2-one
• 2-Quinoxalone
• Quinoxalinone
• quinoxalin-2(1H)-one

• 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_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).
• 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).
• 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	0.4955		Relay (1.0) Calculated Property
ΔfG°	127.02	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	50.08	kJ/mol	Relay (1.0) Calculated Property
ΔsubH°	[118.50; 125.80]	kJ/mol
ΔsubH°	118.50 ± 3.10	kJ/mol	NIST
ΔsubH°	125.80 ± 4.00	kJ/mol	NIST
ΔvapH°	96.01	kJ/mol	Relay (1.0) Calculated Property
IE	8.72	eV	Relay (1.0) Calculated Property
log10WS	-1.16		Relay (1.0) Calculated Property
logPoct/wat	0.441		Crippen Calculated Property
McVol	106.190	ml/mol	McGowan Calculated Property
Pc	5634.47	kPa	Relay (1.0-beta) Calculated Property
Tboil	608.63	K	Relay (1.0) Calculated Property
Tc	877.29	K	Relay (1.0) Calculated Property
Tfus	506.76	K	Relay (1.0) Calculated Property
Vc	0.392	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Similar Compounds

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

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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