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

InChI

InChI=1S/C19H27NO5/c1-3-5-12-24-18(21)17(9-4-2)20-19(22)25-14-13-23-15-16-10-7-6-8-11-16/h4,6-8,10-11,17H,2-3,5,9,12-15H2,1H3,(H,20,22)

InChI Key

DPMNDWRQUQEEKW-UHFFFAOYSA-N

Formula

C19H27NO5

SMILES

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

Molecular Weight¹

349.42

• 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	-667.85	kJ/mol	Joback Calculated Property
ΔvapH°	93.16	kJ/mol	Joback Calculated Property
log10WS	-3.85		Crippen Calculated Property
logPoct/wat	3.422		Crippen Calculated Property
McVol	281.240	ml/mol	McGowan Calculated Property
Pc	1416.50	kPa	Joback Calculated Property
Inp	[2502.00; 2502.00]
Inp	2502.00		NIST
Inp	2502.00		NIST
Tboil	946.91	K	Joback Calculated Property
Tc	1161.62	K	Joback Calculated Property

Similar Compounds

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

Sources

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

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