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

InChI

InChI=1S/C22H35NO3/c1-4-5-6-7-8-12-17-26-22(25)21(18(2)3)23-20(24)16-15-19-13-10-9-11-14-19/h9-11,13-14,18,21H,4-8,12,15-17H2,1-3H3,(H,23,24)

InChI Key

MALOLHZJIKAMLG-UHFFFAOYSA-N

Formula

C22H35NO3

SMILES

CCCCCCCCOC(=O)C(N=C(O)CCc1ccccc1)C(C)C

Molecular Weight¹

361.52

• 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	-596.04	kJ/mol	Joback Calculated Property
ΔvapH°	95.29	kJ/mol	Joback Calculated Property
log10WS	-5.85		Crippen Calculated Property
logPoct/wat	5.504		Crippen Calculated Property
McVol	316.070	ml/mol	McGowan Calculated Property
Pc	1153.00	kPa	Joback Calculated Property
Inp	[2667.00; 2667.00]
Inp	2667.00		NIST
Inp	2667.00		NIST
Tboil	973.59	K	Joback Calculated Property
Tc	1192.32	K	Joback Calculated Property

Similar Compounds

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

Sources

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

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