Chemical Properties of Cinchonidine (CAS 485-71-2)

InChI

InChI=1S/C19H22N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h2-7,9,13-14,18-19,22H,1,8,10-12H2/t13?,14?,18-,19+/m1/s1

InChI Key

KMPWYEUPVWOPIM-AREIWFIDSA-N

Formula

C19H22N2O

SMILES

C=CC1CN2CCC1CC2C(O)c1ccnc2ccccc12

Molecular Weight¹

294.39

CAS

485-71-2

Other Names

• Cinchonan-9-ol, (8«alpha»,9R)-
• «alpha»-Quinidine
• (-)-Cinchonidine
• Cinchovatine
• L-Cinchonidine
• 2-Quinuclidinemethanol, «alpha»-4-quinolyl-5-vinyl-
• (8«alpha»,9R)-Cinchonan-9-ol
• (8S,9R)-Cinchonidine
• NSC 5364

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• 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	0.6795		Relay (1.0) Calculated Property
ΔcH°solid	-10652.00	kJ/mol	NIST
ΔfG°	330.49	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	82.04	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	124.93	kJ/mol	Relay (1.0) Calculated Property
IE	8.06	eV	Relay (1.0) Calculated Property
log10WS	-2.16		Relay (1.0) Calculated Property
logPoct/wat	3.165		Crippen Calculated Property
McVol	235.160	ml/mol	McGowan Calculated Property
Pc	2013.47	kPa	Relay (1.0-beta) Calculated Property
Inp	[2580.00; 2600.00]
Inp	2600.00		NIST
Inp	2580.00		NIST
Inp	2598.00		NIST
Tboil	694.24	K	Relay (1.0) Calculated Property
Tc	1002.16	K	Relay (1.0) Calculated Property
Tfus	489.33	K	Relay (1.0) Calculated Property
Vc	0.833	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Cinchonidine.

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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