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

InChI

InChI=1S/C23H37NO4/c1-5-6-7-8-9-10-11-14-17-28-23(26)21(18(2)3)24-22(25)19-15-12-13-16-20(19)27-4/h12-13,15-16,18,21H,5-11,14,17H2,1-4H3,(H,24,25)

InChI Key

IVKGDWVGBYJTRL-UHFFFAOYSA-N

Formula

C23H37NO4

SMILES

CCCCCCCCCCOC(=O)C(N=C(O)c1ccccc1OC)C(C)C

Molecular Weight¹

391.54

• 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	-760.37	kJ/mol	Joback Calculated Property
ΔvapH°	100.59	kJ/mol	Joback Calculated Property
log10WS	-6.07		Crippen Calculated Property
logPoct/wat	5.708		Crippen Calculated Property
McVol	336.030	ml/mol	McGowan Calculated Property
Pc	1058.95	kPa	Joback Calculated Property
Inp	[2897.00; 2897.00]
Inp	2897.00		NIST
Inp	2897.00		NIST
Tboil	1023.87	K	Joback Calculated Property
Tc	1254.19	K	Joback Calculated Property

Similar Compounds

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

Sources

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

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