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

InChI

InChI=1S/C12H12N2O/c15-12-9-5-1-2-6-10(9)13-11-7-3-4-8-14(11)12/h1-2,5-6H,3-4,7-8H2

InChI Key

LMDWOGWJYVSXEP-UHFFFAOYSA-N

Formula

C12H12N2O

SMILES

O=c1c2ccccc2nc2n1CCCC2

Molecular Weight¹

200.24

Other Names

• Pyrido[2,1-b]quinazolin-11-one, 6,7,8,9-tetrahydro

• 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	0.5748		Relay (1.0) Calculated Property
ΔfG°	204.19	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	3.91	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	88.28	kJ/mol	Relay (1.0) Calculated Property
IE	8.55	eV	Relay (1.0) Calculated Property
log10WS	-2.11		Relay (1.0) Calculated Property
logPoct/wat	1.733		Crippen Calculated Property
McVol	151.690	ml/mol	McGowan Calculated Property
Pc	3293.64	kPa	Relay (1.0-beta) Calculated Property
Inp	[2058.00; 2064.00]
Inp	2064.00		NIST
Inp	2058.00		NIST
Tboil	643.93	K	Relay (1.0) Calculated Property
Tc	922.41	K	Relay (1.0) Calculated Property
Tfus	436.84	K	Relay (1.0) Calculated Property
Vc	0.573	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.

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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