Chemical Properties of Benzoic acid, 4-[1-hydroxy-2-(2-oxopyrrolidino)hexyl]-, ethyl ester

InChI

InChI=1S/C19H27NO4/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/h9-12,16,18,22H,3-8,13H2,1-2H3

InChI Key

FCBAEBYCZGRVFB-UHFFFAOYSA-N

Formula

C19H27NO4

SMILES

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

Molecular Weight¹

333.42

Other Names

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

• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
logPoct/wat	3.078		Crippen Calculated Property
McVol	268.810	ml/mol	McGowan Calculated Property
Inp	[2620.00; 2620.00]
Inp	2620.00		NIST
Inp	2620.00		NIST
Tboil	661.96	K	Relay (1.0) Calculated Property
Tfus	361.27	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Find more compounds similar to Benzoic acid, 4-[1-hydroxy-2-(2-oxopyrrolidino)hexyl]-, ethyl ester.

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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