Chemical Properties of 1-Hydroxy-3-methoxyacridin-9(10H)-one (CAS 91998-87-7)

InChI

InChI=1S/C14H11NO3/c1-18-8-6-11-13(12(16)7-8)14(17)9-4-2-3-5-10(9)15-11/h2-7,16H,1H3,(H,15,17)

InChI Key

LJHHYEQRALVSLL-UHFFFAOYSA-N

Formula

C14H11NO3

SMILES

COc1cc(O)c2c(=O)c3ccccc3[nH]c2c1

Molecular Weight¹

241.24

CAS

91998-87-7

• 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	0.7631		Relay (... Calculated Property
ΔfG°	-54.92	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-222.78	kJ/mol	Relay (... Calculated Property
ΔvapH°	124.00	kJ/mol	Relay (... Calculated Property
IE	7.30	eV	Relay (... Calculated Property
log10WS	-4.80		Relay (... Calculated Property
logPoct/wat	1.914		Crippen Calculated Property
McVol	173.030	ml/mol	McGowan Calculated Property
Pc	4139.10	kPa	Relay (... Calculated Property ⚠️
Inp	[2806.80; 2806.80]
Inp	2806.80		NIST
Inp	2806.80		NIST
Tboil	685.12	K	Relay (... Calculated Property
Tc	1035.94	K	Relay (... Calculated Property
Tfus	534.34	K	Relay (... Calculated Property
Vc	0.625	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 1-Hydroxy-3-methoxyacridin-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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