Chemical Properties of 11,12-Dihydrosparteine

InChI

InChI=1S/C15H28N2/c1-2-3-7-16-10-13-9-14(12-16)15-6-4-5-8-17(15)11-13/h13-15H,2-12H2,1H3

InChI Key

VQAVPDFOXQFIHH-UHFFFAOYSA-N

Formula

C15H28N2

SMILES

CCCCN1CC2CC(C1)C1CCCCN1C2

Molecular Weight¹

236.40

• 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	0.4991		Relay (1.0) Calculated Property
ΔfG°	256.69	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-148.68	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	80.72	kJ/mol	Relay (1.0) Calculated Property
IE	7.18	eV	Relay (1.0) Calculated Property
log10WS	-2.39		Relay (1.0) Calculated Property
logPoct/wat	2.593		Crippen Calculated Property
McVol	209.590	ml/mol	McGowan Calculated Property
Pc	1559.96	kPa	Relay (1.0-beta) Calculated Property
Inp	[1840.00; 1840.00]
Inp	1840.00		NIST
Inp	1840.00		NIST
Tboil	576.91	K	Relay (1.0) Calculated Property
Tc	814.75	K	Relay (1.0) Calculated Property
Tfus	369.67	K	Relay (1.0) Calculated Property
Vc	0.777	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 11,12-Dihydrosparteine.

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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