Chemical Properties of Pipecolylpipecolic acid, N-ethoxycarbonyl-, ethyl ester

InChI

InChI=1S/C17H28N2O5/c1-3-23-16(21)14-10-6-7-11-18(14)15(20)13-9-5-8-12-19(13)17(22)24-4-2/h13-14H,3-12H2,1-2H3

InChI Key

YAOOBWQFMDIAOS-UHFFFAOYSA-N

Formula

C17H28N2O5

SMILES

CCOC(=O)C1CCCCN1C(=O)C1CCCCN1C(=O)OCC

Molecular Weight¹

340.41

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
logPoct/wat	1.942		Crippen Calculated Property
McVol	265.080	ml/mol	McGowan Calculated Property
Inp	[2390.00; 2390.00]
Inp	2390.00		NIST
Inp	2390.00		NIST
Tboil	646.69	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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 Pipecolylpipecolic acid, N-ethoxycarbonyl-, 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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