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

InChI

InChI=1S/C25H49NO4/c1-5-8-10-11-12-13-14-15-16-17-19-29-24(27)20-22(4)26-25(28)30-21-23(7-3)18-9-6-2/h22-23H,5-21H2,1-4H3,(H,26,28)

InChI Key

VFISRKBZQRXFBV-UHFFFAOYSA-N

Formula

C25H49NO4

SMILES

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

Molecular Weight¹

427.66

• 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	-1026.71	kJ/mol	Joback Calculated Property
ΔvapH°	102.11	kJ/mol	Joback Calculated Property
log10WS	-7.59		Crippen Calculated Property
logPoct/wat	7.376		Crippen Calculated Property
McVol	387.970	ml/mol	McGowan Calculated Property
Pc	779.81	kPa	Joback Calculated Property
Inp	[2877.00; 2877.00]
Inp	2877.00		NIST
Inp	2877.00		NIST
Tboil	1037.97	K	Joback Calculated Property
Tc	1290.19	K	Joback Calculated Property

Similar Compounds

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

Sources

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

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