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

InChI

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

InChI Key

DOBAJINZPKDZFK-UHFFFAOYSA-N

Formula

C19H27NO5

SMILES

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

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	-673.13	kJ/mol	Joback Calculated Property
ΔvapH°	92.77	kJ/mol	Joback Calculated Property
log10WS	-3.61		Crippen Calculated Property
logPoct/wat	3.278		Crippen Calculated Property
McVol	281.240	ml/mol	McGowan Calculated Property
Pc	1425.07	kPa	Joback Calculated Property
Inp	[2455.00; 2455.00]
Inp	2455.00		NIST
Inp	2455.00		NIST
Tboil	946.47	K	Joback Calculated Property
Tc	1162.00	K	Joback Calculated Property

Similar Compounds

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

Sources

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

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