Chemical Properties of 1,3-Dihydroxy-2-methoxy-10-methylacridin-9(10H)-one (CAS 16584-46-6)

InChI

InChI=1S/C15H13NO4/c1-16-9-6-4-3-5-8(9)13(18)12-10(16)7-11(17)15(20-2)14(12)19/h3-7,17,19H,1-2H3

InChI Key

MEIZZDBRRJMWCJ-UHFFFAOYSA-N

Formula

C15H13NO4

SMILES

COc1c(O)cc2c(c1O)c(=O)c1ccccc1n2C

Molecular Weight¹

271.27

CAS

16584-46-6

• 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	0.9092		Relay (1.0) Calculated Property
ΔfG°	-141.36	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-363.77	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	135.76	kJ/mol	Relay (1.0) Calculated Property
IE	7.18	eV	Relay (1.0) Calculated Property
log10WS	-3.33		Relay (1.0) Calculated Property
logPoct/wat	2.111		Crippen Calculated Property
McVol	192.990	ml/mol	McGowan Calculated Property
Pc	3464.21	kPa	Relay (1.0-beta) Calculated Property
Inp	[3017.10; 3017.10]
Inp	3017.10		NIST
Inp	3017.10		NIST
Tboil	678.90	K	Relay (1.0) Calculated Property
Tc	1052.67	K	Relay (1.0) Calculated Property
Tfus	513.62	K	Relay (1.0) Calculated Property
Vc	0.701	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Dihydroxy-2-methoxy-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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