Chemical Properties of 7,14-Methano-4H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocine-4,13(14H)-dione, decahydro-, [7S-(7«alpha»,7a«beta»,14«alpha»,14a«alpha»)]- (CAS 4697-83-0)

InChI

InChI=1S/C15H22N2O2/c18-14-6-3-5-13-11-8-10(9-17(13)14)12-4-1-2-7-16(12)15(11)19/h10-13H,1-9H2

InChI Key

HBYSMHYHSFSCED-UHFFFAOYSA-N

Formula

C15H22N2O2

SMILES

O=C1C2CC(CN3C(=O)CCCC23)C2CCCCN12

Molecular Weight¹

262.35

CAS

4697-83-0

Other Names

• Lupanine, 17-oxo-
• 17-Oxolupanine
• 2,17-Dioxosparteine

• 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	0.5610		Relay (... Calculated Property
ΔfG°	57.56	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-412.56	kJ/mol	Relay (... Calculated Property
ΔvapH°	103.93	kJ/mol	Relay (... Calculated Property
IE	8.12	eV	Relay (... Calculated Property
log10WS	-1.81		Relay (... Calculated Property
logPoct/wat	1.398		Crippen Calculated Property
McVol	201.870	ml/mol	McGowan Calculated Property
Pc	1824.77	kPa	Relay (... Calculated Property ⚠️
Inp	[2300.00; 2373.00]
Inp	2373.00		NIST
Inp	2364.00		NIST
Inp	2345.00		NIST
Inp	2350.00		NIST
Inp	2300.00		NIST
Inp	2300.00		NIST
Inp	2356.00		NIST
Inp	2340.00		NIST
Inp	2350.00		NIST
Inp	2300.00		NIST
Inp	2356.00		NIST
Tboil	646.67	K	Relay (... Calculated Property
Tc	966.92	K	Relay (... Calculated Property
Tfus	433.25	K	Relay (... Calculated Property
Vc	0.748	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]diazocine-4,13(14H)-dione, decahydro-, [7S-(7«alpha»,7a«beta»,14«alpha»,14a«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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.