Chemical Properties of Dihydrocytisine

InChI

InChI=1S/C11H16N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1,3,8-10,12H,2,4-7H2

InChI Key

KSXAIQGMVVISIG-UHFFFAOYSA-N

Formula

C11H16N2O

SMILES

O=C1C=CCC2C3CNCC(C3)CN12

Molecular Weight¹

192.26

• 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	0.4460		Relay (1.0) Calculated Property
ΔfG°	164.01	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-156.61	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	94.59	kJ/mol	Relay (1.0) Calculated Property
IE	8.01	eV	Relay (1.0) Calculated Property
log10WS	-0.66		Relay (1.0) Calculated Property
logPoct/wat	0.383		Crippen Calculated Property
McVol	150.500	ml/mol	McGowan Calculated Property
Pc	2737.28	kPa	Relay (1.0-beta) Calculated Property
Inp	[1799.00; 1799.00]
Inp	1799.00		NIST
Inp	1799.00		NIST
Tboil	597.06	K	Relay (1.0) Calculated Property
Tc	852.26	K	Relay (1.0) Calculated Property
Tfus	461.92	K	Relay (1.0) Calculated Property
Vc	0.528	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Dihydrocytisine.

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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