Chemical Properties of Tolpropamine M (bis-nor), acetylated

InChI

InChI=1S/C18H21NO/c1-14-8-10-17(11-9-14)18(12-13-19-15(2)20)16-6-4-3-5-7-16/h3-11,18H,12-13H2,1-2H3,(H,19,20)

InChI Key

OETWYHPMGLYEQG-UHFFFAOYSA-N

Formula

C18H21NO

SMILES

CC(O)=NCCC(c1ccccc1)c1ccc(C)cc1

Molecular Weight¹

267.37

• 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	0.7611		Relay (... Calculated Property
ΔfG°	236.64	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-88.76	kJ/mol	Relay (... Calculated Property
ΔvapH°	126.17	kJ/mol	Relay (... Calculated Property
IE	8.32	eV	Relay (... Calculated Property
log10WS	-4.04		Relay (... Calculated Property
logPoct/wat	4.493		Crippen Calculated Property
McVol	228.510	ml/mol	McGowan Calculated Property
Pc	1892.00	kPa	Joback Calculated Property
Inp	[2340.00; 2340.00]
Inp	2340.00		NIST
Inp	2340.00		NIST
Tboil	661.86	K	Relay (... Calculated Property
Tc	913.75	K	Relay (... Calculated Property
Tfus	363.68	K	Relay (... Calculated Property
Vc	0.800	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Tolpropamine M (bis-nor), acetylated.

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
• Joback Method
• McGowan Method
• NIST Webbook

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