Chemical Properties of «beta»-Alanine, N-isobutyryl-, heptadecyl ester

InChI

InChI=1S/C24H47NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-28-23(26)19-20-25-24(27)22(2)3/h22H,4-21H2,1-3H3,(H,25,27)

InChI Key

NELRJOGAGJVQSI-UHFFFAOYSA-N

Formula

C24H47NO3

SMILES

CCCCCCCCCCCCCCCCCOC(=O)CCN=C(O)C(C)C

Molecular Weight¹

397.63

• 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	-868.57	kJ/mol	Joback Calculated Property
ΔvapH°	97.86	kJ/mol	Joback Calculated Property
log10WS	-7.47		Crippen Calculated Property
logPoct/wat	7.404		Crippen Calculated Property
McVol	368.010	ml/mol	McGowan Calculated Property
Pc	827.64	kPa	Joback Calculated Property
Inp	[2994.00; 2994.00]
Inp	2994.00		NIST
Inp	2994.00		NIST
Tboil	993.11	K	Joback Calculated Property
Tc	1226.06	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to «beta»-Alanine, N-isobutyryl-, heptadecyl ester.

Sources

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

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