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

InChI

InChI=1S/C14H21NO4/c1-4-7-10-18-13(16)12(9-6-3)15-14(17)19-11-8-5-2/h4-6,12H,1-3,7-11H2,(H,15,17)

InChI Key

YZQNATNOGQPXKY-UHFFFAOYSA-N

Formula

C14H21NO4

SMILES

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

Molecular Weight¹

267.32

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion 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	0.7129		Relay (1.0) Calculated Property
ΔfG°	-50.37	kJ/mol	Joback Calculated Property
ΔfH°gas	-686.12	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	35.33	kJ/mol	Joback Calculated Property
ΔvapH°	85.39	kJ/mol	Relay (1.0) Calculated Property
IE	9.22	eV	Relay (1.0) Calculated Property
log10WS	-2.59		Relay (1.0) Calculated Property
logPoct/wat	2.353		Crippen Calculated Property
McVol	220.080	ml/mol	McGowan Calculated Property
Pc	1853.11	kPa	Joback Calculated Property
Inp	[1742.00; 1742.00]
Inp	1742.00		NIST
Inp	1742.00		NIST
Tboil	582.35	K	Relay (1.0) Calculated Property
Tc	764.94	K	Relay (1.0) Calculated Property
Tfus	263.04	K	Relay (1.0) Calculated Property
Vc	0.744	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[608.43; 680.59]	J/mol×K	[712.07; 899.94]
Cp,gas	608.43	J/mol×K	712.07	Joback Calculated Property
Cp,gas	622.35	J/mol×K	743.38	Joback Calculated Property
Cp,gas	635.50	J/mol×K	774.69	Joback Calculated Property
Cp,gas	647.87	J/mol×K	806.01	Joback Calculated Property
Cp,gas	659.51	J/mol×K	837.32	Joback Calculated Property
Cp,gas	670.41	J/mol×K	868.63	Joback Calculated Property
Cp,gas	680.59	J/mol×K	899.94	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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