Chemical Properties of 17-Oxo-«beta»-isosparteine

InChI

InChI=1S/C15H24N2O/c18-15-11-9-17-8-4-2-6-14(17)12(15)10-16-7-3-1-5-13(11)16/h11-14H,1-10H2

InChI Key

GHGQXOFLRGUXQS-UHFFFAOYSA-N

Formula

C15H24N2O

SMILES

O=C1C2CN3CCCCC3C1CN1CCCCC21

Molecular Weight¹

248.36

• 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	0.4895		Relay (1.0) Calculated Property
ΔfG°	148.89	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-216.67	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	99.01	kJ/mol	Relay (1.0) Calculated Property
IE	7.70	eV	Relay (1.0) Calculated Property
log10WS	-1.29		Relay (1.0) Calculated Property
logPoct/wat	1.524		Crippen Calculated Property
McVol	200.300	ml/mol	McGowan Calculated Property
Pc	1788.26	kPa	Relay (1.0-beta) Calculated Property
Inp	[2182.00; 2182.00]
Inp	2182.00		NIST
Inp	2182.00		NIST
Tboil	606.15	K	Relay (1.0) Calculated Property
Tc	892.18	K	Relay (1.0) Calculated Property
Tfus	526.57	K	Relay (1.0) Calculated Property
Vc	0.735	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 17-Oxo-«beta»-isosparteine.

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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