Chemical Properties of 2-Aminopent-4-enoic acid, N-(2-benzyloxyetoxycarbonyl)-, heptyl ester

InChI

InChI=1S/C22H33NO5/c1-3-5-6-7-11-15-27-21(24)20(12-4-2)23-22(25)28-17-16-26-18-19-13-9-8-10-14-19/h4,8-10,13-14,20H,2-3,5-7,11-12,15-18H2,1H3,(H,23,25)

InChI Key

NNQJTEVGCHJBDO-UHFFFAOYSA-N

Formula

C22H33NO5

SMILES

C=CCC(N=C(O)OCCOCc1ccccc1)C(=O)OCCCCCCC

Molecular Weight¹

391.50

• 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	-729.77	kJ/mol	Joback Calculated Property
ΔvapH°	99.83	kJ/mol	Joback Calculated Property
log10WS	-5.11		Crippen Calculated Property
logPoct/wat	4.592		Crippen Calculated Property
McVol	323.510	ml/mol	McGowan Calculated Property
Pc	1153.00	kPa	Joback Calculated Property
Inp	[2893.00; 2893.00]
Inp	2893.00		NIST
Inp	2893.00		NIST
Tboil	1015.55	K	Joback Calculated Property
Tc	1243.72	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Aminopent-4-enoic acid, N-(2-benzyloxyetoxycarbonyl)-, heptyl ester.

Sources

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

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