Chemical Properties of «beta»-Alanine, N-caproyl-, nonyl ester

InChI

InChI=1S/C18H35NO3/c1-3-5-7-8-9-10-12-16-22-18(21)14-15-19-17(20)13-11-6-4-2/h3-16H2,1-2H3,(H,19,20)

InChI Key

WBHNVWZAOOOOFY-UHFFFAOYSA-N

Formula

C18H35NO3

SMILES

CCCCCCCCCOC(=O)CCN=C(O)CCCCC

Molecular Weight¹

313.48

• 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	-739.45	kJ/mol	Joback Calculated Property
ΔvapH°	84.89	kJ/mol	Joback Calculated Property
log10WS	-5.20		Crippen Calculated Property
logPoct/wat	5.207		Crippen Calculated Property
McVol	283.470	ml/mol	McGowan Calculated Property
Pc	1182.53	kPa	Joback Calculated Property
Inp	[2374.00; 2374.00]
Inp	2374.00		NIST
Inp	2374.00		NIST
Tboil	856.27	K	Joback Calculated Property
Tc	1049.03	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to «beta»-Alanine, N-caproyl-, nonyl ester.

Sources

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

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