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

InChI

InChI=1S/C25H47NO3/c1-4-5-6-7-8-9-10-11-12-15-20-29-25(28)24(21(2)3)26-23(27)19-18-22-16-13-14-17-22/h21-22,24H,4-20H2,1-3H3,(H,26,27)

InChI Key

KTNZZZXSKLSMAV-UHFFFAOYSA-N

Formula

C25H47NO3

SMILES

CCCCCCCCCCCCOC(=O)C(N=C(O)CCC1CCCC1)C(C)C

Molecular Weight¹

409.65

• 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	-834.01	kJ/mol	Joback Calculated Property
ΔvapH°	99.95	kJ/mol	Joback Calculated Property
log10WS	-7.66		Crippen Calculated Property
logPoct/wat	7.402		Crippen Calculated Property
McVol	371.240	ml/mol	McGowan Calculated Property
Pc	873.25	kPa	Joback Calculated Property
Inp	[2936.00; 2936.00]
Inp	2936.00		NIST
Inp	2936.00		NIST
Tboil	1030.83	K	Joback Calculated Property
Tc	1266.99	K	Joback Calculated Property

Similar Compounds

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

Sources

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

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