Chemical Properties of L-Valine, N-(3-methylbut-2-enoyl)-, undecyl ester

InChI

InChI=1S/C21H39NO3/c1-6-7-8-9-10-11-12-13-14-15-25-21(24)20(18(4)5)22-19(23)16-17(2)3/h16,18,20H,6-15H2,1-5H3,(H,22,23)

InChI Key

ZQOMAZTXTZWBCG-UHFFFAOYSA-N

Formula

C21H39NO3

SMILES

CCCCCCCCCCCOC(=O)C(N=C(O)C=C(C)C)C(C)C

Molecular Weight¹

353.54

• 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	-704.50	kJ/mol	Joback Calculated Property
ΔvapH°	90.83	kJ/mol	Joback Calculated Property
log10WS	-6.18		Crippen Calculated Property
logPoct/wat	6.008		Crippen Calculated Property
McVol	321.440	ml/mol	McGowan Calculated Property
Pc	1025.31	kPa	Joback Calculated Property
Inp	[2480.00; 2480.00]
Inp	2480.00		NIST
Inp	2480.00		NIST
Tboil	928.07	K	Joback Calculated Property
Tc	1136.22	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Valine, N-(3-methylbut-2-enoyl)-, undecyl ester.

Sources

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

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