Chemical Properties of DL-3-Aminobutanoic acid, N-(2-ethylhexyl)oxycarbonyl-, pentyl ester

InChI

InChI=1S/C18H35NO4/c1-5-8-10-12-22-17(20)13-15(4)19-18(21)23-14-16(7-3)11-9-6-2/h15-16H,5-14H2,1-4H3,(H,19,21)

InChI Key

MZSJBCCMMZHEFQ-UHFFFAOYSA-N

Formula

C18H35NO4

SMILES

CCCCCOC(=O)CC(C)N=C(O)OCC(CC)CCCC

Molecular Weight¹

329.47

• 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	-882.23	kJ/mol	Joback Calculated Property
ΔvapH°	86.52	kJ/mol	Joback Calculated Property
log10WS	-4.66		Crippen Calculated Property
logPoct/wat	4.645		Crippen Calculated Property
McVol	289.340	ml/mol	McGowan Calculated Property
Pc	1181.71	kPa	Joback Calculated Property
Inp	[2216.00; 2216.00]
Inp	2216.00		NIST
Inp	2216.00		NIST
Tboil	877.81	K	Joback Calculated Property
Tc	1075.29	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to DL-3-Aminobutanoic acid, N-(2-ethylhexyl)oxycarbonyl-, pentyl ester.

Sources

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

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