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

InChI

InChI=1S/C19H29NO3/c1-4-5-9-14-23-19(22)18(15(2)3)20-17(21)13-12-16-10-7-6-8-11-16/h6-8,10-11,15,18H,4-5,9,12-14H2,1-3H3,(H,20,21)

InChI Key

QMXKQAMCSADTHI-UHFFFAOYSA-N

Formula

C19H29NO3

SMILES

CCCCCOC(=O)C(N=C(O)CCc1ccccc1)C(C)C

Molecular Weight¹

319.44

• 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	-534.12	kJ/mol	Joback Calculated Property
ΔvapH°	88.62	kJ/mol	Joback Calculated Property
log10WS	-4.59		Crippen Calculated Property
logPoct/wat	4.334		Crippen Calculated Property
McVol	273.800	ml/mol	McGowan Calculated Property
Pc	1416.50	kPa	Joback Calculated Property
Inp	[2364.00; 2364.00]
Inp	2364.00		NIST
Inp	2364.00		NIST
Tboil	904.95	K	Joback Calculated Property
Tc	1115.11	K	Joback Calculated Property

Similar Compounds

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

Sources

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

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