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

InChI

InChI=1S/C20H39NO3/c1-3-5-7-9-10-12-14-18-24-20(23)16-17-21-19(22)15-13-11-8-6-4-2/h3-18H2,1-2H3,(H,21,22)

InChI Key

JKHDYLJCIZHMEW-UHFFFAOYSA-N

Formula

C20H39NO3

SMILES

CCCCCCCCCOC(=O)CCN=C(O)CCCCCCC

Molecular Weight¹

341.53

• 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	-780.73	kJ/mol	Joback Calculated Property
ΔvapH°	89.34	kJ/mol	Joback Calculated Property
log10WS	-6.04		Crippen Calculated Property
logPoct/wat	5.987		Crippen Calculated Property
McVol	311.650	ml/mol	McGowan Calculated Property
Pc	1040.58	kPa	Joback Calculated Property
Inp	[2579.00; 2579.00]
Inp	2579.00		NIST
Inp	2579.00		NIST
Tboil	902.03	K	Joback Calculated Property
Tc	1104.61	K	Joback Calculated Property

Similar Compounds

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

Sources

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

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