Chemical Properties of L-Proline, N-(phenylacetyl)-, undecyl ester

InChI

InChI=1S/C24H37NO3/c1-2-3-4-5-6-7-8-9-13-19-28-24(27)22-17-14-18-25(22)23(26)20-21-15-11-10-12-16-21/h10-12,15-16,22H,2-9,13-14,17-20H2,1H3

InChI Key

RJJJXRKUMGSHRW-UHFFFAOYSA-N

Formula

C24H37NO3

SMILES

CCCCCCCCCCCOC(=O)C1CCCN1C(=O)Cc1ccccc1

Molecular Weight¹

387.56

• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-5.14		Relay (1.0) Calculated Property
logPoct/wat	5.294		Crippen Calculated Property
McVol	333.390	ml/mol	McGowan Calculated Property
Pc	914.42	kPa	Relay (1.0-beta) Calculated Property
Inp	[2962.00; 2962.00]
Inp	2962.00		NIST
Inp	2962.00		NIST
Tboil	685.96	K	Relay (1.0) Calculated Property
Tfus	325.50	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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-(phenylacetyl)-, undecyl 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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