Chemical Properties of L-Valine, N-(3-methylbenzoyl)-, undecyl ester

InChI

InChI=1S/C24H39NO3/c1-5-6-7-8-9-10-11-12-13-17-28-24(27)22(19(2)3)25-23(26)21-16-14-15-20(4)18-21/h14-16,18-19,22H,5-13,17H2,1-4H3,(H,25,26)

InChI Key

WWLJAFJYLUAJTR-UHFFFAOYSA-N

Formula

C24H39NO3

SMILES

CCCCCCCCCCCOC(=O)C(N=C(O)c1cccc(C)c1)C(C)C

Molecular Weight¹

389.57

• 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	-648.79	kJ/mol	Joback Calculated Property
ΔvapH°	100.41	kJ/mol	Joback Calculated Property
log10WS	-6.85		Crippen Calculated Property
logPoct/wat	6.398		Crippen Calculated Property
McVol	344.250	ml/mol	McGowan Calculated Property
Pc	1006.53	kPa	Joback Calculated Property
Inp	[2875.00; 2875.00]
Inp	2875.00		NIST
Inp	2875.00		NIST
Tboil	1024.33	K	Joback Calculated Property
Tc	1254.89	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Valine, N-(3-methylbenzoyl)-, undecyl ester.

Sources

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

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