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

InChI

InChI=1S/C19H35NO3/c1-14(2)8-7-13-23-19(22)18(15(3)4)20-17(21)12-11-16-9-5-6-10-16/h14-16,18H,5-13H2,1-4H3,(H,20,21)

InChI Key

OLTOEUYUDQEXLC-UHFFFAOYSA-N

Formula

C19H35NO3

SMILES

CC(C)CCCOC(=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	-715.45	kJ/mol	Joback Calculated Property
ΔvapH°	86.21	kJ/mol	Joback Calculated Property
log10WS	-4.90		Crippen Calculated Property
logPoct/wat	4.917		Crippen Calculated Property
McVol	286.700	ml/mol	McGowan Calculated Property
Pc	1275.51	kPa	Joback Calculated Property
Inp	[2280.00; 2280.00]
Inp	2280.00		NIST
Inp	2280.00		NIST
Tboil	893.11	K	Joback Calculated Property
Tc	1098.95	K	Joback Calculated Property

Similar Compounds

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

Sources

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

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