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

InChI

InChI=1S/C20H31NO3/c1-4-5-6-10-15-24-20(23)19(16(2)3)21-18(22)14-13-17-11-8-7-9-12-17/h7-9,11-12,16,19H,4-6,10,13-15H2,1-3H3,(H,21,22)

InChI Key

XPEPTRGJXJNZIG-UHFFFAOYSA-N

Formula

C20H31NO3

SMILES

CCCCCCOC(=O)C(N=C(O)CCc1ccccc1)C(C)C

Molecular Weight¹

333.46

• 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	-554.76	kJ/mol	Joback Calculated Property
ΔvapH°	90.84	kJ/mol	Joback Calculated Property
log10WS	-5.01		Crippen Calculated Property
logPoct/wat	4.724		Crippen Calculated Property
McVol	287.890	ml/mol	McGowan Calculated Property
Pc	1319.43	kPa	Joback Calculated Property
Inp	[2465.00; 2465.00]
Inp	2465.00		NIST
Inp	2465.00		NIST
Tboil	927.83	K	Joback Calculated Property
Tc	1139.95	K	Joback Calculated Property

Similar Compounds

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

Sources

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

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