Chemical Properties of L-Valine, N-(2-methoxybenzoyl)-, heptyl ester

InChI

InChI=1S/C20H31NO4/c1-5-6-7-8-11-14-25-20(23)18(15(2)3)21-19(22)16-12-9-10-13-17(16)24-4/h9-10,12-13,15,18H,5-8,11,14H2,1-4H3,(H,21,22)

InChI Key

VASOEZVVYGEBNU-UHFFFAOYSA-N

Formula

C20H31NO4

SMILES

CCCCCCCOC(=O)C(N=C(O)c1ccccc1OC)C(C)C

Molecular Weight¹

349.46

• 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	-698.45	kJ/mol	Joback Calculated Property
ΔvapH°	93.91	kJ/mol	Joback Calculated Property
log10WS	-4.82		Crippen Calculated Property
logPoct/wat	4.538		Crippen Calculated Property
McVol	293.760	ml/mol	McGowan Calculated Property
Pc	1289.29	kPa	Joback Calculated Property
Inp	[2600.00; 2600.00]
Inp	2600.00		NIST
Inp	2600.00		NIST
Tboil	955.23	K	Joback Calculated Property
Tc	1171.29	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Valine, N-(2-methoxybenzoyl)-, heptyl ester.

Sources

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

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