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

InChI

InChI=1S/C21H41NO3/c1-3-5-7-9-10-11-13-15-19-25-21(24)17-18-22-20(23)16-14-12-8-6-4-2/h3-19H2,1-2H3,(H,22,23)

InChI Key

KHCFPBDIEVLIML-UHFFFAOYSA-N

Formula

C21H41NO3

SMILES

CCCCCCCCCCOC(=O)CCN=C(O)CCCCCCC

Molecular Weight¹

355.56

• 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	-801.37	kJ/mol	Joback Calculated Property
ΔvapH°	91.57	kJ/mol	Joback Calculated Property
log10WS	-6.46		Crippen Calculated Property
logPoct/wat	6.377		Crippen Calculated Property
McVol	325.740	ml/mol	McGowan Calculated Property
Pc	979.01	kPa	Joback Calculated Property
Inp	[2678.00; 2678.00]
Inp	2678.00		NIST
Inp	2678.00		NIST
Tboil	924.91	K	Joback Calculated Property
Tc	1133.87	K	Joback Calculated Property

Similar Compounds

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

Sources

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

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