Chemical Properties of Octahydrodipyrido[1,2-a:1',2'-d]pyrazine-6,12(2H,6aH)-dione

InChI

InChI=1S/C12H18N2O2/c15-11-9-5-1-3-7-13(9)12(16)10-6-2-4-8-14(10)11/h9-10H,1-8H2

InChI Key

DVUOUKHMQDFLFQ-UHFFFAOYSA-N

Formula

C12H18N2O2

SMILES

O=C1C2CCCCN2C(=O)C2CCCCN12

Molecular Weight¹

222.28

• 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	0.5339		Relay (1.0) Calculated Property
ΔfG°	12.02	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-377.21	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	89.11	kJ/mol	Relay (1.0) Calculated Property
IE	8.52	eV	Relay (1.0) Calculated Property
log10WS	-1.52		Relay (1.0) Calculated Property
logPoct/wat	0.762		Crippen Calculated Property
McVol	170.460	ml/mol	McGowan Calculated Property
Pc	2454.12	kPa	Relay (1.0-beta) Calculated Property
Inp	[2162.00; 2162.00]
Inp	2162.00		NIST
Inp	2162.00		NIST
Tboil	605.78	K	Relay (1.0) Calculated Property
Tc	902.12	K	Relay (1.0) Calculated Property
Tfus	495.34	K	Relay (1.0) Calculated Property
Vc	0.619	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Octahydrodipyrido[1,2-a:1',2'-d]pyrazine-6,12(2H,6aH)-dione.

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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