Chemical Properties of 2-Aminopent-4-enoic acid, N-(but-2-yn-1-yloxycarbonyl)-, pentyl ester

InChI

InChI=1S/C15H23NO4/c1-4-7-9-12-19-14(17)13(10-6-3)16-15(18)20-11-8-5-2/h6,13H,3-4,7,9-12H2,1-2H3,(H,16,18)

InChI Key

LHQLYVQTABMKET-UHFFFAOYSA-N

Formula

C15H23NO4

SMILES

C=CCC(N=C(O)OCC#CC)C(=O)OCCCCC

Molecular Weight¹

281.35

• 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	-417.30	kJ/mol	Joback Calculated Property
ΔvapH°	81.72	kJ/mol	Joback Calculated Property
log10WS	-3.29		Crippen Calculated Property
logPoct/wat	2.618		Crippen Calculated Property
McVol	234.170	ml/mol	McGowan Calculated Property
Pc	1697.70	kPa	Joback Calculated Property
Inp	[1977.00; 1977.00]
Inp	1977.00		NIST
Inp	1977.00		NIST
Tboil	815.29	K	Joback Calculated Property
Tc	1014.11	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Aminopent-4-enoic acid, N-(but-2-yn-1-yloxycarbonyl)-, pentyl ester.

Sources

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

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