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

InChI

InChI=1S/C9H12N2O/c1-7-3-2-6-11-8(12)4-5-10-9(7)11/h4-5,7H,2-3,6H2,1H3

InChI Key

RBJWQZWEWIGJDH-UHFFFAOYSA-N

Formula

C9H12N2O

SMILES

CC1CCCn2c1nccc2=O

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	0.4942		Relay (1.0) Calculated Property
ΔfG°	124.11	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-132.79	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	80.77	kJ/mol	Relay (1.0) Calculated Property
IE	8.84	eV	Relay (1.0) Calculated Property
log10WS	-0.37		Relay (1.0) Calculated Property
logPoct/wat	1.141		Crippen Calculated Property
McVol	128.880	ml/mol	McGowan Calculated Property
Pc	3551.60	kPa	Relay (1.0-beta) Calculated Property
Inp	[1615.00; 1615.00]
Inp	1615.00		NIST
Inp	1615.00		NIST
Tboil	584.77	K	Relay (1.0) Calculated Property
Tc	798.37	K	Relay (1.0) Calculated Property
Tfus	405.76	K	Relay (1.0) Calculated Property
Vc	0.471	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, 9-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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