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

InChI

InChI=1S/C26H51NO4/c1-5-8-10-11-12-13-14-15-16-17-18-20-30-25(28)21-23(4)27-26(29)31-22-24(7-3)19-9-6-2/h23-24H,5-22H2,1-4H3,(H,27,29)

InChI Key

DOKJLQKNADCNTB-UHFFFAOYSA-N

Formula

C26H51NO4

SMILES

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

Molecular Weight¹

441.69

• 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	-1047.35	kJ/mol	Joback Calculated Property
ΔvapH°	104.33	kJ/mol	Joback Calculated Property
log10WS	-8.00		Crippen Calculated Property
logPoct/wat	7.766		Crippen Calculated Property
McVol	402.060	ml/mol	McGowan Calculated Property
Pc	739.63	kPa	Joback Calculated Property
Inp	[2970.00; 2970.00]
Inp	2970.00		NIST
Inp	2970.00		NIST
Tboil	1060.85	K	Joback Calculated Property
Tc	1326.13	K	Joback Calculated Property

Similar Compounds

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

Sources

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

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