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

InChI

InChI=1S/C23H39NO4/c1-4-7-9-10-11-12-13-14-15-16-17-20-27-22(25)21(18-6-3)24-23(26)28-19-8-5-2/h6,21H,3-4,7,9-20H2,1-2H3,(H,24,26)

InChI Key

OZPLFYQWPSWRPC-UHFFFAOYSA-N

Formula

C23H39NO4

SMILES

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

Molecular Weight¹

393.56

• 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	1.1403		Relay (... Calculated Property
ΔfG°	-32.67	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-786.24	kJ/mol	Relay (... Calculated Property
ΔvapH°	128.48	kJ/mol	Relay (... Calculated Property
IE	9.04	eV	Relay (... Calculated Property
log10WS	-5.95		Relay (... Calculated Property
logPoct/wat	5.739		Crippen Calculated Property
McVol	346.890	ml/mol	McGowan Calculated Property
Pc	979.62	kPa	Joback Calculated Property
Inp	[2767.00; 2767.00]
Inp	2767.00		NIST
Inp	2767.00		NIST
Tboil	655.65	K	Relay (... Calculated Property
Tc	855.12	K	Relay (... Calculated Property
Tfus	334.25	K	Relay (... Calculated Property
Vc	1.225	m3/kmol	Relay (... Calculated Property

Similar Compounds

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