Chemical Properties of Mucronatinine

InChI

InChI=1S/C19H27NO5/c1-4-13-10-12(3)19(23,5-2)18(22)24-11-14-6-8-20-9-7-15(16(14)20)25-17(13)21/h4,6,12,15-16,23H,5,7-11H2,1-3H3/b13-4-/t12-,15-,16?,19-/m0/s1

InChI Key

FPRDBFWVOJWDMI-GFGUIIKYSA-N

Formula

C19H27NO5

SMILES

CC=C1CC(C)C(O)(CC)C(=O)OCC2=CCN3CCC(OC1=O)C23

Molecular Weight¹

349.42

• 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	0.6991		Relay (1.0) Calculated Property
ΔfG°	-317.15	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-770.70	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	128.33	kJ/mol	Relay (1.0) Calculated Property
IE	7.97	eV	Relay (1.0) Calculated Property
log10WS	-1.78		Relay (1.0) Calculated Property
logPoct/wat	1.583		Crippen Calculated Property
McVol	268.120	ml/mol	McGowan Calculated Property
Pc	1301.42	kPa	Relay (1.0-beta) Calculated Property
Inp	[2578.00; 2578.00]
Inp	2578.00		NIST
Inp	2578.00		NIST
Tboil	678.68	K	Relay (1.0) Calculated Property
Tc	950.65	K	Relay (1.0) Calculated Property
Tfus	440.27	K	Relay (1.0) Calculated Property
Vc	0.923	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Mucronatinine.

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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