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

InChI

InChI=1S/C18H33NO3/c1-6-7-8-9-10-11-12-22-18(21)17(15(4)5)19-16(20)13-14(2)3/h13,15,17H,6-12H2,1-5H3,(H,19,20)

InChI Key

JWGONWAWBPYNBZ-UHFFFAOYSA-N

Formula

C18H33NO3

SMILES

CCCCCCCCOC(=O)C(N=C(O)C=C(C)C)C(C)C

Molecular Weight¹

311.46

• 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	-642.58	kJ/mol	Joback Calculated Property
ΔvapH°	84.15	kJ/mol	Joback Calculated Property
log10WS	-4.93		Crippen Calculated Property
logPoct/wat	4.837		Crippen Calculated Property
McVol	279.170	ml/mol	McGowan Calculated Property
Pc	1244.21	kPa	Joback Calculated Property
Inp	[2179.00; 2179.00]
Inp	2179.00		NIST
Inp	2179.00		NIST
Tboil	859.43	K	Joback Calculated Property
Tc	1056.27	K	Joback Calculated Property

Similar Compounds

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

Sources

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

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