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

InChI

InChI=1S/C13H18N2O/c1-9-5-6-10-11(8-9)14-12-4-2-3-7-15(12)13(10)16/h9H,2-8H2,1H3

InChI Key

FPJSPFXDMDCRFM-UHFFFAOYSA-N

Formula

C13H18N2O

SMILES

CC1CCc2c(nc3n(c2=O)CCCC3)C1

Molecular Weight¹

218.29

• 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	0.6029		Relay (... Calculated Property
ΔfG°	146.07	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-140.17	kJ/mol	Relay (... Calculated Property
ΔvapH°	86.16	kJ/mol	Relay (... Calculated Property
IE	8.55	eV	Relay (... Calculated Property
log10WS	-2.10		Relay (... Calculated Property
logPoct/wat	1.704		Crippen Calculated Property
McVol	174.380	ml/mol	McGowan Calculated Property
Pc	2436.59	kPa	Relay (... Calculated Property ⚠️
Inp	[2095.00; 2095.00]
Inp	2095.00		NIST
Inp	2095.00		NIST
Tboil	635.66	K	Relay (... Calculated Property
Tc	886.95	K	Relay (... Calculated Property
Tfus	431.81	K	Relay (... Calculated Property
Vc	0.663	m3/kmol	Relay (... 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, 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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