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

InChI

InChI=1S/C19H35NO3/c1-4-5-6-9-14-23-19(22)18(15(2)3)20-17(21)13-12-16-10-7-8-11-16/h15-16,18H,4-14H2,1-3H3,(H,20,21)

InChI Key

LKFRNRIMDODOOB-UHFFFAOYSA-N

Formula

C19H35NO3

SMILES

CCCCCCOC(=O)C(N=C(O)CCC1CCCC1)C(C)C

Molecular Weight¹

325.49

• 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	-710.17	kJ/mol	Joback Calculated Property
ΔvapH°	86.60	kJ/mol	Joback Calculated Property
log10WS	-5.14		Crippen Calculated Property
logPoct/wat	5.061		Crippen Calculated Property
McVol	286.700	ml/mol	McGowan Calculated Property
Pc	1268.25	kPa	Joback Calculated Property
Inp	[2335.00; 2335.00]
Inp	2335.00		NIST
Inp	2335.00		NIST
Tboil	893.55	K	Joback Calculated Property
Tc	1098.29	K	Joback Calculated Property

Similar Compounds

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

Sources

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

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