Chemical Properties of 7,14-Methano-4H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocin-4-one, 2,3,7,7a,8,9,10,11,13,14-decahydro-, [7S-(7«alpha»,7a«beta»,14«alpha»)]- (CAS 32101-29-4)

InChI

InChI=1S/C15H22N2O/c18-15-6-3-5-14-11-8-12(10-17(14)15)13-4-1-2-7-16(13)9-11/h5,11-13H,1-4,6-10H2

InChI Key

GSQQGCZVTAUICD-UHFFFAOYSA-N

Formula

C15H22N2O

SMILES

O=C1CCC=C2C3CC(CN12)C1CCCCN1C3

Molecular Weight¹

246.35

CAS

32101-29-4

Other Names

• Lupanine, 5,6-didehydro-
• Lupanine, dehydro-
• 5,6-Dehydrolupanine
• 7,14-Methano-4H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocin-4-one, 2,3,7,7a,8,9,10,11,13,14-decahydro-, (7«alpha»,7a«beta»,14«alpha»)-

• 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	0.4999		Relay (... Calculated Property
ΔfG°	191.60	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-173.67	kJ/mol	Relay (... Calculated Property
ΔvapH°	88.84	kJ/mol	Relay (... Calculated Property
IE	7.42	eV	Relay (... Calculated Property
log10WS	-1.69		Relay (... Calculated Property
logPoct/wat	1.997		Crippen Calculated Property
McVol	196.000	ml/mol	McGowan Calculated Property
Pc	1877.16	kPa	Relay (... Calculated Property ⚠️
Inp	[2104.00; 2133.00]
Inp	2128.00		NIST
Inp	2133.00		NIST
Inp	2130.00		NIST
Inp	2104.00		NIST
Tboil	631.16	K	Relay (... Calculated Property
Tc	923.66	K	Relay (... Calculated Property
Tfus	431.50	K	Relay (... Calculated Property
Vc	0.715	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 7,14-Methano-4H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocin-4-one, 2,3,7,7a,8,9,10,11,13,14-decahydro-, [7S-(7«alpha»,7a«beta»,14«alpha»)]-.

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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