Chemical Properties of L-Proline, N-(3-cyclopentylpropionyl)-, isohexyl ester

InChI

InChI=1S/C19H33NO3/c1-15(2)7-6-14-23-19(22)17-10-5-13-20(17)18(21)12-11-16-8-3-4-9-16/h15-17H,3-14H2,1-2H3

InChI Key

DZRFKWQUHXYCPS-UHFFFAOYSA-N

Formula

C19H33NO3

SMILES

CC(C)CCCOC(=O)C1CCCN1C(=O)CCC1CCCC1

Molecular Weight¹

323.47

• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
logPoct/wat	3.927		Crippen Calculated Property
McVol	275.840	ml/mol	McGowan Calculated Property
Inp	[2465.00; 2465.00]
Inp	2465.00		NIST
Inp	2465.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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 L-Proline, N-(3-cyclopentylpropionyl)-, isohexyl 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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