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

InChI

InChI=1S/C19H37NO3/c1-4-5-6-7-8-9-10-11-12-13-16-23-18(21)14-15-20-19(22)17(2)3/h17H,4-16H2,1-3H3,(H,20,22)

InChI Key

FRHKQFCECXOUNC-UHFFFAOYSA-N

Formula

C19H37NO3

SMILES

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

Molecular Weight¹

327.50

• 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	-765.37	kJ/mol	Joback Calculated Property
ΔvapH°	86.73	kJ/mol	Joback Calculated Property
log10WS	-5.38		Crippen Calculated Property
logPoct/wat	5.453		Crippen Calculated Property
McVol	297.560	ml/mol	McGowan Calculated Property
Pc	1114.08	kPa	Joback Calculated Property
Inp	[2428.00; 2428.00]
Inp	2428.00		NIST
Inp	2428.00		NIST
Tboil	878.71	K	Joback Calculated Property
Tc	1075.98	K	Joback Calculated Property

Similar Compounds

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

Sources

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

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