Chemical Properties of 2-Methyl-3-acetyl-quinoxaline 1,4-dioxide (CAS 13297-17-1)

InChI

InChI=1S/C11H10N2O3/c1-7-11(8(2)14)13(16)10-6-4-3-5-9(10)12(7)15/h3-6H,1-2H3

InChI Key

CUJMCPPBTUATEJ-UHFFFAOYSA-N

Formula

C11H10N2O3

SMILES

CC(=O)c1c(C)[n+]([O-])c2ccccc2[n+]1[O-]

Molecular Weight¹

218.21

CAS

13297-17-1

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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_subH° : Enthalpy of sublimation 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).
• 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	0.5894		Relay (1.0) Calculated Property
ΔcH°solid	-5673.90 ± 4.20	kJ/mol	NIST
ΔfG°	245.52	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	33.10 ± 5.00	kJ/mol	NIST
ΔfH°solid	-83.90 ± 4.40	kJ/mol	NIST
ΔsubH°	[117.00; 117.00]	kJ/mol
ΔsubH°	117.00 ± 2.40	kJ/mol	NIST
ΔsubH°	117.00 ± 2.40	kJ/mol	NIST
ΔvapH°	86.41	kJ/mol	Relay (1.0) Calculated Property
IE	8.14	eV	Relay (1.0) Calculated Property
log10WS	-2.76		Relay (1.0) Calculated Property
logPoct/wat	0.618		Crippen Calculated Property
McVol	155.900	ml/mol	McGowan Calculated Property
Pc	3039.24	kPa	Relay (1.0-beta) Calculated Property
Tboil	585.05	K	Relay (1.0) Calculated Property
Tc	899.02	K	Relay (1.0) Calculated Property
Tfus	420.68	K	Relay (1.0) Calculated Property
Vc	0.543	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 2-Methyl-3-acetyl-quinoxaline 1,4-dioxide.

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.