Chemical Properties of 11H-Pyrido[2,1-b]quinazolin-11-one, 1,2,3,4,6,7,8,9-octahydro

InChI

InChI=1S/C12H18N2O/c15-12-9-5-1-2-6-10(9)13-11-7-3-4-8-14(11)12/h9-10H,1-8H2

InChI Key

JMPLADLXJPQANY-UHFFFAOYSA-N

Formula

C12H18N2O

SMILES

O=C1C2CCCCC2N=C2CCCCN12

Molecular Weight¹

206.28

• 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	0.4877		Relay (1.0) Calculated Property
ΔfG°	119.73	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-217.54	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	80.96	kJ/mol	Relay (1.0) Calculated Property
IE	8.63	eV	Relay (1.0) Calculated Property
log10WS	-1.71		Relay (1.0) Calculated Property
logPoct/wat	1.970		Crippen Calculated Property
McVol	164.590	ml/mol	McGowan Calculated Property
Pc	2561.93	kPa	Relay (1.0-beta) Calculated Property
Inp	[2059.00; 2059.00]
Inp	2059.00		NIST
Inp	2059.00		NIST
Tboil	597.95	K	Relay (1.0) Calculated Property
Tc	900.16	K	Relay (1.0) Calculated Property
Tfus	418.45	K	Relay (1.0) Calculated Property
Vc	0.597	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 11H-Pyrido[2,1-b]quinazolin-11-one, 1,2,3,4,6,7,8,9-octahydro.

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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