Chemical Properties of 11H-Pyrido[2,1-b]quinazolin-11-one, 6,7,8,9-tetrahydro, 7-methyl

InChI

InChI=1S/C13H14N2O/c1-9-6-7-15-12(8-9)14-11-5-3-2-4-10(11)13(15)16/h2-5,9H,6-8H2,1H3

InChI Key

KUYNDLHNVYLRKI-UHFFFAOYSA-N

Formula

C13H14N2O

SMILES

CC1CCn2c(nc3ccccc3c2=O)C1

Molecular Weight¹

214.26

• 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	0.5662		Relay (1.0) Calculated Property
ΔfG°	203.59	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-19.09	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	90.65	kJ/mol	Relay (1.0) Calculated Property
IE	8.52	eV	Relay (1.0) Calculated Property
log10WS	-2.50		Relay (1.0) Calculated Property
logPoct/wat	1.979		Crippen Calculated Property
McVol	165.780	ml/mol	McGowan Calculated Property
Pc	2763.28	kPa	Relay (1.0-beta) Calculated Property
Inp	[2189.00; 2189.00]
Inp	2189.00		NIST
Inp	2189.00		NIST
Tboil	642.55	K	Relay (1.0) Calculated Property
Tc	905.49	K	Relay (1.0) Calculated Property
Tfus	404.73	K	Relay (1.0) Calculated Property
Vc	0.619	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

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