Chemical Properties of 1-Hydroxy-3,4-dimethoxy-10-methylacridin-9(10H)-one (CAS 96935-29-4)

InChI

InChI=1S/C16H15NO4/c1-17-10-7-5-4-6-9(10)15(19)13-11(18)8-12(20-2)16(21-3)14(13)17/h4-8,18H,1-3H3

InChI Key

FPTMTPTVCVDIMW-UHFFFAOYSA-N

Formula

C16H15NO4

SMILES

COc1cc(O)c2c(=O)c3ccccc3n(C)c2c1OC

Molecular Weight¹

285.29

CAS

96935-29-4

• 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	0.8634		Relay (... Calculated Property
ΔfG°	-111.95	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-338.50	kJ/mol	Relay (... Calculated Property
ΔvapH°	124.03	kJ/mol	Relay (... Calculated Property
IE	7.13	eV	Relay (... Calculated Property
log10WS	-3.47		Relay (... Calculated Property
logPoct/wat	2.414		Crippen Calculated Property
McVol	207.080	ml/mol	McGowan Calculated Property
Pc	2542.91	kPa	Relay (... Calculated Property ⚠️
Inp	[2785.60; 2785.60]
Inp	2785.60		NIST
Inp	2785.60		NIST
Tboil	680.26	K	Relay (... Calculated Property
Tc	1029.46	K	Relay (... Calculated Property
Tfus	500.99	K	Relay (... Calculated Property
Vc	0.760	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 1-Hydroxy-3,4-dimethoxy-10-methylacridin-9(10H)-one.

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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