Chemical Properties of 4H-Pyrido[1,2-a]pyrimidin-4-one, 6,7,8,9-tetrahydro, 2-methyl

InChI

InChI=1S/C9H12N2O/c1-7-6-9(12)11-5-3-2-4-8(11)10-7/h6H,2-5H2,1H3

InChI Key

WCVUTDNAIJJMSX-UHFFFAOYSA-N

Formula

C9H12N2O

SMILES

Cc1cc(=O)n2c(n1)CCCC2

Molecular Weight¹

164.20

• 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	0.5276		Relay (1.0) Calculated Property
ΔfG°	114.33	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-115.61	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	75.58	kJ/mol	Relay (1.0) Calculated Property
IE	8.65	eV	Relay (1.0) Calculated Property
log10WS	-0.10		Relay (1.0) Calculated Property
logPoct/wat	0.888		Crippen Calculated Property
McVol	128.880	ml/mol	McGowan Calculated Property
Pc	3649.11	kPa	Relay (1.0-beta) Calculated Property
Inp	[1657.00; 1657.00]
Inp	1657.00		NIST
Inp	1657.00		NIST
Tboil	595.65	K	Relay (1.0) Calculated Property
Tc	805.98	K	Relay (1.0) Calculated Property
Tfus	415.01	K	Relay (1.0) Calculated Property
Vc	0.479	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 4H-Pyrido[1,2-a]pyrimidin-4-one, 6,7,8,9-tetrahydro, 2-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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