Chemical Properties of L-Valine, N-(3-cyclopentylpropionyl)-, undecyl ester

InChI

InChI=1S/C24H45NO3/c1-4-5-6-7-8-9-10-11-14-19-28-24(27)23(20(2)3)25-22(26)18-17-21-15-12-13-16-21/h20-21,23H,4-19H2,1-3H3,(H,25,26)

InChI Key

UIKTYHKYFFSJKS-UHFFFAOYSA-N

Formula

C24H45NO3

SMILES

CCCCCCCCCCCOC(=O)C(N=C(O)CCC1CCCC1)C(C)C

Molecular Weight¹

395.62

• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-813.37	kJ/mol	Joback Calculated Property
ΔvapH°	97.73	kJ/mol	Joback Calculated Property
log10WS	-7.24		Crippen Calculated Property
logPoct/wat	7.012		Crippen Calculated Property
McVol	357.150	ml/mol	McGowan Calculated Property
Pc	924.99	kPa	Joback Calculated Property
Inp	[2827.00; 2827.00]
Inp	2827.00		NIST
Inp	2827.00		NIST
Tboil	1007.95	K	Joback Calculated Property
Tc	1236.16	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Valine, N-(3-cyclopentylpropionyl)-, undecyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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