Chemical Properties of 2,6-Piperidinedione, 1-[(octahydro-2H-quinolizin-1-yl)methyl]-, (1R-cis)- (CAS 18688-40-9)

InChI

InChI=1S/C15H24N2O2/c18-14-7-3-8-15(19)17(14)11-12-5-4-10-16-9-2-1-6-13(12)16/h12-13H,1-11H2/t12-,13+/m1/s1

InChI Key

IFGFYNRAHYENJQ-OLZOCXBDSA-N

Formula

C15H24N2O2

SMILES

O=C1CCCC(=O)N1CC1CCCN2CCCCC12

Molecular Weight¹

264.36

CAS

18688-40-9

Other Names

• Lamprolobine
• Lamprolobin

• 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	0.6027		Relay (1.0) Calculated Property
ΔfG°	35.92	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-445.40	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	87.89	kJ/mol	Relay (1.0) Calculated Property
IE	7.84	eV	Relay (1.0) Calculated Property
log10WS	-1.06		Relay (1.0) Calculated Property
logPoct/wat	1.790		Crippen Calculated Property
McVol	212.730	ml/mol	McGowan Calculated Property
Pc	1727.19	kPa	Relay (1.0-beta) Calculated Property
Inp	[2177.00; 2177.00]
Inp	2177.00		NIST
Inp	2177.00		NIST
Tboil	651.83	K	Relay (1.0) Calculated Property
Tc	921.11	K	Relay (1.0) Calculated Property
Tfus	394.97	K	Relay (1.0) Calculated Property
Vc	0.767	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 2,6-Piperidinedione, 1-[(octahydro-2H-quinolizin-1-yl)methyl]-, (1R-cis)-.

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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