Chemical Properties of 2-Aminopent-4-enoic acid, N-(but-3-en-1-yloxycarbonyl)-, undecyl ester

InChI

InChI=1S/C21H37NO4/c1-4-7-9-10-11-12-13-14-15-18-25-20(23)19(16-6-3)22-21(24)26-17-8-5-2/h5-6,19H,2-4,7-18H2,1H3,(H,22,24)

InChI Key

DVLOFAKOLGPTBQ-UHFFFAOYSA-N

Formula

C21H37NO4

SMILES

C=CCCOC(O)=NC(CC=C)C(=O)OCCCCCCCCCCC

Molecular Weight¹

367.52

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	1.1379		Relay (1.0) Calculated Property
ΔfG°	-131.34	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-907.32	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	117.74	kJ/mol	Relay (1.0) Calculated Property
IE	9.18	eV	Relay (1.0) Calculated Property
log10WS	-5.03		Relay (1.0) Calculated Property
logPoct/wat	5.512		Crippen Calculated Property
McVol	323.010	ml/mol	McGowan Calculated Property
Pc	1026.63	kPa	Joback Calculated Property
Inp	[2427.00; 2427.00]
Inp	2427.00		NIST
Inp	2427.00		NIST
Tboil	650.24	K	Relay (1.0) Calculated Property
Tc	826.54	K	Relay (1.0) Calculated Property
Tfus	303.87	K	Relay (1.0) Calculated Property
Vc	1.144	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 2-Aminopent-4-enoic acid, N-(but-3-en-1-yloxycarbonyl)-, undecyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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