Chemical Properties of 1-Aminocyclopentanecarboxylic acid, 3-chloropropoxycarbonyl-, tridecyl ester

InChI

InChI=1S/C23H42ClNO4/c1-2-3-4-5-6-7-8-9-10-11-14-19-28-21(26)23(16-12-13-17-23)25-22(27)29-20-15-18-24/h2-20H2,1H3,(H,25,27)

InChI Key

MHCNBCWVFFUGLH-UHFFFAOYSA-N

Formula

C23H42ClNO4

SMILES

CCCCCCCCCCCCCOC(=O)C1(N=C(O)OCCCCl)CCCC1

Molecular Weight¹

432.04

• 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	6.713		Crippen Calculated Property
McVol	361.170	ml/mol	McGowan Calculated Property
Inp	[2937.00; 2937.00]
Inp	2937.00		NIST
Inp	2937.00		NIST

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Similar Compounds

Find more compounds similar to 1-Aminocyclopentanecarboxylic acid, 3-chloropropoxycarbonyl-, tridecyl 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
• Joback Method
• McGowan Method
• NIST Webbook

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