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

InChI

InChI=1S/C19H37NO4/c1-5-8-10-11-13-23-18(21)14-16(4)20-19(22)24-15-17(7-3)12-9-6-2/h16-17H,5-15H2,1-4H3,(H,20,22)

InChI Key

JFQJIIMFHDYDST-UHFFFAOYSA-N

Formula

C19H37NO4

SMILES

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

Molecular Weight¹

343.50

• 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	-902.87	kJ/mol	Joback Calculated Property
ΔvapH°	88.75	kJ/mol	Joback Calculated Property
log10WS	-5.07		Crippen Calculated Property
logPoct/wat	5.036		Crippen Calculated Property
McVol	303.430	ml/mol	McGowan Calculated Property
Pc	1107.42	kPa	Joback Calculated Property
Inp	[2308.00; 2308.00]
Inp	2308.00		NIST
Inp	2308.00		NIST
Tboil	900.69	K	Joback Calculated Property
Tc	1102.71	K	Joback Calculated Property

Similar Compounds

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

Sources

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

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