Chemical Properties of 6,7,8,9-Tetrahydro-pyrido[2,1-b]quinazolin-11-one

InChI

InChI=1S/C13H10N2O/c1-9-6-7-12-14-11-5-3-2-4-10(11)13(16)15(12)8-9/h2-8H,1H3

InChI Key

SWAMQXRVHXAAHQ-UHFFFAOYSA-N

Formula

C13H10N2O

SMILES

Cc1ccc2nc3ccccc3c(=O)n2c1

Molecular Weight¹

210.23

• 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	0.5687		Relay (1.0) Calculated Property
ΔfG°	221.93	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	76.17	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	100.00	kJ/mol	Relay (1.0) Calculated Property
IE	8.17	eV	Relay (1.0) Calculated Property
log10WS	-3.22		Relay (1.0) Calculated Property
logPoct/wat	2.156		Crippen Calculated Property
McVol	157.180	ml/mol	McGowan Calculated Property
Pc	3588.32	kPa	Relay (1.0-beta) Calculated Property
Inp	[2058.00; 2059.00]
Inp	2058.00		NIST
Inp	2059.00		NIST
Inp	2058.00		NIST
Tboil	654.13	K	Relay (1.0) Calculated Property
Tc	950.59	K	Relay (1.0) Calculated Property
Tfus	464.17	K	Relay (1.0) Calculated Property
Vc	0.601	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 6,7,8,9-Tetrahydro-pyrido[2,1-b]quinazolin-11-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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