Chemical Properties of 2-Aminopent-4-enoic acid, N-octyloxycarbonyl-, isobutyl ester

InChI

InChI=1S/C18H33NO4/c1-5-7-8-9-10-11-13-22-18(21)19-16(12-6-2)17(20)23-14-15(3)4/h6,15-16H,2,5,7-14H2,1,3-4H3,(H,19,21)

InChI Key

KIDHKAXOVNGTSO-UHFFFAOYSA-N

Formula

C18H33NO4

SMILES

C=CCC(N=C(O)OCCCCCCCC)C(=O)OCC(C)C

Molecular Weight¹

327.46

• 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	-756.80	kJ/mol	Joback Calculated Property
ΔvapH°	85.85	kJ/mol	Joback Calculated Property
log10WS	-4.51		Crippen Calculated Property
logPoct/wat	4.421		Crippen Calculated Property
McVol	285.040	ml/mol	McGowan Calculated Property
Pc	1216.59	kPa	Joback Calculated Property
Inp	[2109.00; 2109.00]
Inp	2109.00		NIST
Inp	2109.00		NIST
Tboil	874.49	K	Joback Calculated Property
Tc	1071.82	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Aminopent-4-enoic acid, N-octyloxycarbonyl-, isobutyl ester.

Sources

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

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