Chemical Properties of 9(10H)-Acridinone, 1-hydroxy-3-methoxy-10-methyl- (CAS 13161-83-6)

InChI

InChI=1S/C15H13NO3/c1-16-11-6-4-3-5-10(11)15(18)14-12(16)7-9(19-2)8-13(14)17/h3-8,17H,1-2H3

InChI Key

OCUBFJMZYYIVBO-UHFFFAOYSA-N

Formula

C15H13NO3

SMILES

COc1cc(O)c2c(=O)c3ccccc3n(C)c2c1

Molecular Weight¹

255.27

CAS

13161-83-6

Other Names

• 9-Acridanone, 1-hydroxy-3-methoxy-10-methyl-
• 1-Hydroxy-3-methoxy-N-methylacridone

• 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.
• 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	0.7892		Relay (1.0) Calculated Property
ΔfG°	-17.56	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-227.13	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	119.92	kJ/mol	Relay (1.0) Calculated Property
IE	7.16	eV	Relay (1.0) Calculated Property
log10WS	-4.29		Relay (1.0) Calculated Property
logPoct/wat	2.406		Crippen Calculated Property
McVol	187.120	ml/mol	McGowan Calculated Property
Pc	3204.46	kPa	Relay (1.0-beta) Calculated Property
Inp	[2825.90; 2825.90]
Inp	2825.90		NIST
Inp	2825.90		NIST
Tboil	675.88	K	Relay (1.0) Calculated Property
Tc	1012.61	K	Relay (1.0) Calculated Property
Tfus	498.80	K	Relay (1.0) Calculated Property
Vc	0.683	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 9(10H)-Acridinone, 1-hydroxy-3-methoxy-10-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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