Chemical Properties of «beta»-Alanine, N-cyclohexylcarbonyl-, dodecyl ester

InChI

InChI=1S/C22H41NO3/c1-2-3-4-5-6-7-8-9-10-14-19-26-21(24)17-18-23-22(25)20-15-12-11-13-16-20/h20H,2-19H2,1H3,(H,23,25)

InChI Key

ILBVEVIOYSBIPW-UHFFFAOYSA-N

Formula

C22H41NO3

SMILES

CCCCCCCCCCCCOC(=O)CCN=C(O)C1CCCCC1

Molecular Weight¹

367.57

• 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	-767.69	kJ/mol	Joback Calculated Property
ΔvapH°	94.22	kJ/mol	Joback Calculated Property
log10WS	-6.53		Crippen Calculated Property
logPoct/wat	6.377		Crippen Calculated Property
McVol	328.970	ml/mol	McGowan Calculated Property
Pc	1049.37	kPa	Joback Calculated Property
Inp	[2913.00; 2913.00]
Inp	2913.00		NIST
Inp	2913.00		NIST
Tboil	967.34	K	Joback Calculated Property
Tc	1184.34	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to «beta»-Alanine, N-cyclohexylcarbonyl-, dodecyl ester.

Sources

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

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