Chemical Properties of 4'-Ethoxycarbonyl-«alpha»-(2-oxopyrrolidino)hexanophene

InChI

InChI=1S/C19H25NO4/c1-3-5-7-16(20-13-6-8-17(20)21)18(22)14-9-11-15(12-10-14)19(23)24-4-2/h9-12,16H,3-8,13H2,1-2H3

InChI Key

QEASLYZJXRLGDJ-UHFFFAOYSA-N

Formula

C19H25NO4

SMILES

CCCCC(C(=O)c1ccc(C(=O)OCC)cc1)N1CCCC1=O

Molecular Weight¹

331.41

Other Names

• R,S-4'-methyl-«alpha»-pyrrolidinohexanophenone-M (oxo-carboxy-), ethylated

• 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	0.8649		Relay (1.0) Calculated Property
ΔfG°	-212.65	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-692.21	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	101.71	kJ/mol	Relay (1.0) Calculated Property
IE	8.59	eV	Relay (1.0) Calculated Property
log10WS	-3.52		Relay (1.0) Calculated Property
logPoct/wat	3.227		Crippen Calculated Property
McVol	264.510	ml/mol	McGowan Calculated Property
Pc	1271.32	kPa	Relay (1.0-beta) Calculated Property
Inp	[2525.00; 2525.00]
Inp	2525.00		NIST
Inp	2525.00		NIST
Tboil	670.70	K	Relay (1.0) Calculated Property
Tc	903.66	K	Relay (1.0) Calculated Property
Tfus	349.35	K	Relay (1.0) Calculated Property
Vc	0.958	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 4'-Ethoxycarbonyl-«alpha»-(2-oxopyrrolidino)hexanophene.

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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