Chemical Properties of 10,17-Dioxo-«beta»-sparteine

InChI

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

InChI Key

ALRKCTGHXZGXNU-UHFFFAOYSA-N

Formula

C15H22N2O2

SMILES

O=C1C2CN3CCCCC3C1C(=O)N1CCCCC21

Molecular Weight¹

262.35

• 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	0.5260		Relay (1.0) Calculated Property
ΔfG°	42.40	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-371.00	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	102.73	kJ/mol	Relay (1.0) Calculated Property
IE	8.26	eV	Relay (1.0) Calculated Property
log10WS	-1.42		Relay (1.0) Calculated Property
logPoct/wat	1.051		Crippen Calculated Property
McVol	201.870	ml/mol	McGowan Calculated Property
Pc	1819.13	kPa	Relay (1.0-beta) Calculated Property
Inp	[2340.00; 2346.00]
Inp	2346.00		NIST
Inp	2340.00		NIST
Tboil	633.45	K	Relay (1.0) Calculated Property
Tc	941.15	K	Relay (1.0) Calculated Property
Tfus	507.63	K	Relay (1.0) Calculated Property
Vc	0.734	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 10,17-Dioxo-«beta»-sparteine.

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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