Chemical Properties of l-Valine, N-caproyl-, methyl ester

InChI

InChI=1S/C12H23NO3/c1-5-6-7-8-10(14)13-11(9(2)3)12(15)16-4/h9,11H,5-8H2,1-4H3,(H,13,14)

InChI Key

XFEUHQYGLOQDDX-UHFFFAOYSA-N

Formula

C12H23NO3

SMILES

CCCCCC(O)=NC(C(=O)OC)C(C)C

Molecular Weight¹

229.32

• 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	-626.17	kJ/mol	Joback Calculated Property
ΔvapH°	70.76	kJ/mol	Joback Calculated Property
log10WS	-2.56		Crippen Calculated Property
logPoct/wat	2.721		Crippen Calculated Property
McVol	198.930	ml/mol	McGowan Calculated Property
Pc	1864.33	kPa	Joback Calculated Property
Inp	[1568.00; 1568.00]
Inp	1568.00		NIST
Inp	1568.00		NIST
Tboil	718.11	K	Joback Calculated Property
Tc	904.62	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to l-Valine, N-caproyl-, methyl ester.

Sources

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

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