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

InChI

InChI=1S/C20H37NO3/c1-6-7-8-9-10-11-12-13-14-24-20(23)19(17(4)5)21-18(22)15-16(2)3/h15,17,19H,6-14H2,1-5H3,(H,21,22)

InChI Key

JUSABVAYSUUWME-UHFFFAOYSA-N

Formula

C20H37NO3

SMILES

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

Molecular Weight¹

339.51

• 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	-683.86	kJ/mol	Joback Calculated Property
ΔvapH°	88.60	kJ/mol	Joback Calculated Property
log10WS	-5.76		Crippen Calculated Property
logPoct/wat	5.618		Crippen Calculated Property
McVol	307.350	ml/mol	McGowan Calculated Property
Pc	1091.38	kPa	Joback Calculated Property
Inp	[2382.00; 2382.00]
Inp	2382.00		NIST
Inp	2382.00		NIST
Tboil	905.19	K	Joback Calculated Property
Tc	1108.67	K	Joback Calculated Property

Similar Compounds

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

Sources

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

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