Chemical Properties of 4H-Cyclopenteno[2,3-e]pyrido[1,2-a]pyrimidin-4-one, 6,7,8,9-tetrahydro, 8-methyl

InChI

InChI=1S/C12H12N2O/c1-8-4-9-6-11-13-3-2-12(15)14(11)7-10(9)5-8/h2-3,6-8H,4-5H2,1H3

InChI Key

NZXQPUOGROXAPV-UHFFFAOYSA-N

Formula

C12H12N2O

SMILES

CC1Cc2cc3nccc(=O)n3cc2C1

Molecular Weight¹

200.24

• 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	0.5642		Relay (1.0) Calculated Property
ΔfG°	171.62	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-32.22	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	103.08	kJ/mol	Relay (1.0) Calculated Property
IE	8.72	eV	Relay (1.0) Calculated Property
log10WS	-2.56		Relay (1.0) Calculated Property
logPoct/wat	1.429		Crippen Calculated Property
McVol	151.690	ml/mol	McGowan Calculated Property
Pc	3112.45	kPa	Relay (1.0-beta) Calculated Property
Inp	[2000.00; 2000.00]
Inp	2000.00		NIST
Inp	2000.00		NIST
Tboil	637.42	K	Relay (1.0) Calculated Property
Tc	892.43	K	Relay (1.0) Calculated Property
Tfus	450.17	K	Relay (1.0) Calculated Property
Vc	0.575	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 4H-Cyclopenteno[2,3-e]pyrido[1,2-a]pyrimidin-4-one, 6,7,8,9-tetrahydro, 8-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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