Chemical Properties of L-Proline, N-(hexanoyl)-, propyl ester

InChI

InChI=1S/C14H25NO3/c1-3-5-6-9-13(16)15-10-7-8-12(15)14(17)18-11-4-2/h12H,3-11H2,1-2H3

InChI Key

XMHMCAJYOKGKGR-UHFFFAOYSA-N

Formula

C14H25NO3

SMILES

CCCCCC(=O)N1CCCC1C(=O)OCCC

Molecular Weight¹

255.36

• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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
ΔvapH°	80.30	kJ/mol	Relay (1.0) Calculated Property
log10WS	-2.22		Relay (1.0) Calculated Property
logPoct/wat	2.511		Crippen Calculated Property
McVol	216.250	ml/mol	McGowan Calculated Property
Inp	[1934.00; 1934.00]
Inp	1934.00		NIST
Inp	1934.00		NIST
Tboil	585.94	K	Relay (1.0) Calculated Property
Tfus	290.01	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation 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-(hexanoyl)-, propyl 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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