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

InChI

InChI=1S/C22H39NO4/c1-4-7-9-10-11-12-13-14-15-16-19-26-21(24)20(17-6-3)23-22(25)27-18-8-5-2/h5-6,20H,2-4,7-19H2,1H3,(H,23,25)

InChI Key

AQGOWVKRQRCMMC-UHFFFAOYSA-N

Formula

C22H39NO4

SMILES

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

Molecular Weight¹

381.55

• 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	1.1732		Relay (1.0) Calculated Property
ΔfG°	-123.50	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-928.27	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	121.71	kJ/mol	Relay (1.0) Calculated Property
IE	9.21	eV	Relay (1.0) Calculated Property
log10WS	-5.34		Relay (1.0) Calculated Property
logPoct/wat	5.902		Crippen Calculated Property
McVol	337.100	ml/mol	McGowan Calculated Property
Pc	966.27	kPa	Joback Calculated Property
Inp	[2532.00; 2532.00]
Inp	2532.00		NIST
Inp	2532.00		NIST
Tboil	657.82	K	Relay (1.0) Calculated Property
Tc	834.82	K	Relay (1.0) Calculated Property
Tfus	307.59	K	Relay (1.0) Calculated Property
Vc	1.199	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)-, dodecyl 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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