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

InChI

InChI=1S/C23H45NO3/c1-3-5-7-8-9-10-11-12-13-14-15-17-21-27-23(26)19-20-24-22(25)18-16-6-4-2/h3-21H2,1-2H3,(H,24,25)

InChI Key

VDBNJRPKDOGMMI-UHFFFAOYSA-N

Formula

C23H45NO3

SMILES

CCCCCCCCCCCCCCOC(=O)CCN=C(O)CCCCC

Molecular Weight¹

383.61

• 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	-842.65	kJ/mol	Joback Calculated Property
ΔvapH°	96.02	kJ/mol	Joback Calculated Property
log10WS	-7.30		Crippen Calculated Property
logPoct/wat	7.158		Crippen Calculated Property
McVol	353.920	ml/mol	McGowan Calculated Property
Pc	871.19	kPa	Joback Calculated Property
Inp	[2933.00; 2933.00]
Inp	2933.00		NIST
Inp	2933.00		NIST
Tboil	970.67	K	Joback Calculated Property
Tc	1195.73	K	Joback Calculated Property

Similar Compounds

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

Sources

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

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