Chemical Properties of 2-Aminopent-4-enoic acid, N-propargyloxycarbonyl-, hexyl ester

InChI

InChI=1S/C16H25NO4/c1-4-7-9-10-13-20-15(18)14(11-6-3)17-16(19)21-12-8-5-2/h2,6,14H,3-4,7-13H2,1H3,(H,17,19)

InChI Key

REEIGQQMYFFGGM-UHFFFAOYSA-N

Formula

C16H25NO4

SMILES

C#CCCOC(=O)NC(CC=C)C(=O)OCCCCCC

Molecular Weight¹

295.37

• 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).
• 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
ΔfG°	13.86	kJ/mol	Joback Calculated Property
ΔfH°gas	-397.65	kJ/mol	Joback Calculated Property
ΔfusH°	46.04	kJ/mol	Joback Calculated Property
ΔvapH°	74.76	kJ/mol	Joback Calculated Property
log10WS	-4.17		Crippen Calculated Property
logPoct/wat	2.804		Crippen Calculated Property
McVol	248.260	ml/mol	McGowan Calculated Property
Pc	1664.61	kPa	Joback Calculated Property
Inp	[2007.00; 2007.00]
Inp	2007.00		NIST
Inp	2007.00		NIST
Tboil	754.59	K	Joback Calculated Property
Tc	944.22	K	Joback Calculated Property
Tfus	497.27	K	Joback Calculated Property
Vc	0.952	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[717.42; 793.95]	J/mol×K	[754.59; 944.22]
Cp,gas	717.42	J/mol×K	754.59	Joback Calculated Property
Cp,gas	732.26	J/mol×K	786.19	Joback Calculated Property
Cp,gas	746.23	J/mol×K	817.80	Joback Calculated Property
Cp,gas	759.37	J/mol×K	849.40	Joback Calculated Property
Cp,gas	771.69	J/mol×K	881.01	Joback Calculated Property
Cp,gas	783.22	J/mol×K	912.61	Joback Calculated Property
Cp,gas	793.95	J/mol×K	944.22	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Aminopent-4-enoic acid, N-propargyloxycarbonyl-, hexyl ester.

Sources

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

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