Chemical Properties of 4H-Cyclopenteno[2,3-e]pyrido[1,2-a]pyrimidin-4-one, 6-methyl

InChI

InChI=1S/C12H10N2O/c1-8-5-6-14-11(7-8)13-10-4-2-3-9(10)12(14)15/h3-7H,2H2,1H3

InChI Key

BNCKUBBIJACNOY-UHFFFAOYSA-N

Formula

C12H10N2O

SMILES

Cc1ccn2c(=O)c3c(nc2c1)=CCC=3

Molecular Weight¹

198.22

• 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	0.5327		Relay (... Calculated Property
ΔfG°	238.13	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	161.76	kJ/mol	Relay (... Calculated Property
ΔvapH°	91.55	kJ/mol	Relay (... Calculated Property
IE	8.07	eV	Relay (... Calculated Property
log10WS	-3.23		Relay (... Calculated Property
logPoct/wat	-0.032		Crippen Calculated Property
McVol	147.390	ml/mol	McGowan Calculated Property
Pc	3397.39	kPa	Relay (... Calculated Property ⚠️
Inp	[2020.00; 2020.00]
Inp	2020.00		NIST
Inp	2020.00		NIST
Tboil	628.86	K	Relay (... Calculated Property
Tc	909.89	K	Relay (... Calculated Property
Tfus	474.41	K	Relay (... Calculated Property
Vc	0.563	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 4H-Cyclopenteno[2,3-e]pyrido[1,2-a]pyrimidin-4-one, 6-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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