Chemical Properties of DL-3-Aminobutanoic acid, N-hexyloxycarbonyl-, dodecyl ester

InChI

InChI=1S/C23H45NO4/c1-4-6-8-10-11-12-13-14-15-17-18-27-22(25)20-21(3)24-23(26)28-19-16-9-7-5-2/h21H,4-20H2,1-3H3,(H,24,26)

InChI Key

ZNWCNCMGNXINFC-UHFFFAOYSA-N

Formula

C23H45NO4

SMILES

CCCCCCCCCCCCOC(=O)CC(C)N=C(O)OCCCCCC

Molecular Weight¹

399.61

• 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	-980.15	kJ/mol	Joback Calculated Property
ΔvapH°	98.04	kJ/mol	Joback Calculated Property
log10WS	-6.99		Crippen Calculated Property
logPoct/wat	6.740		Crippen Calculated Property
McVol	359.790	ml/mol	McGowan Calculated Property
Pc	866.58	kPa	Joback Calculated Property
Inp	[2692.00; 2692.00]
Inp	2692.00		NIST
Inp	2692.00		NIST
Tboil	992.65	K	Joback Calculated Property
Tc	1224.98	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to DL-3-Aminobutanoic acid, N-hexyloxycarbonyl-, dodecyl ester.

Sources

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

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