Chemical Properties of 4H-Pyrido[1,2-a]pyrimidin-4-one, 2,3-dimethyl

InChI

InChI=1S/C10H10N2O/c1-7-8(2)11-9-5-3-4-6-12(9)10(7)13/h3-6H,1-2H3

InChI Key

FXHOXXOPXPGPKP-UHFFFAOYSA-N

Formula

C10H10N2O

SMILES

Cc1nc2ccccn2c(=O)c1C

Molecular Weight¹

174.20

• 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	0.5016		Relay (1.0) Calculated Property
ΔfG°	170.69	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	0.27	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	85.44	kJ/mol	Relay (1.0) Calculated Property
IE	8.45	eV	Relay (1.0) Calculated Property
log10WS	-1.13		Relay (1.0) Calculated Property
logPoct/wat	1.311		Crippen Calculated Property
McVol	134.370	ml/mol	McGowan Calculated Property
Pc	3933.64	kPa	Relay (1.0-beta) Calculated Property
Inp	[1727.00; 1727.00]
Inp	1727.00		NIST
Inp	1727.00		NIST
Tboil	582.35	K	Relay (1.0) Calculated Property
Tc	847.72	K	Relay (1.0) Calculated Property
Tfus	420.56	K	Relay (1.0) Calculated Property
Vc	0.505	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 4H-Pyrido[1,2-a]pyrimidin-4-one, 2,3-dimethyl.

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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