Chemical Properties of 2-Aminopent-4-enoic acid, N-hexyloxycarbonyl-, butyl ester

InChI

InChI=1S/C16H29NO4/c1-4-7-9-10-13-21-16(19)17-14(11-6-3)15(18)20-12-8-5-2/h6,14H,3-5,7-13H2,1-2H3,(H,17,19)

InChI Key

LQEMUUPCYQBSMK-UHFFFAOYSA-N

Formula

C16H29NO4

SMILES

C=CCC(NC(=O)OCCCCCC)C(=O)OCCCC

Molecular Weight¹

299.41

• 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°	-209.21	kJ/mol	Joback Calculated Property
ΔfH°gas	-689.55	kJ/mol	Joback Calculated Property
ΔfusH°	43.07	kJ/mol	Joback Calculated Property
ΔvapH°	74.90	kJ/mol	Joback Calculated Property
log10WS	-4.38		Crippen Calculated Property
logPoct/wat	3.581		Crippen Calculated Property
McVol	256.860	ml/mol	McGowan Calculated Property
Pc	1480.43	kPa	Joback Calculated Property
Inp	[1967.00; 1967.00]
Inp	1967.00		NIST
Inp	1967.00		NIST
Tboil	764.47	K	Joback Calculated Property
Tc	948.61	K	Joback Calculated Property
Tfus	450.30	K	Joback Calculated Property
Vc	0.990	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[769.58; 851.34]	J/mol×K	[764.47; 948.61]
Cp,gas	769.58	J/mol×K	764.47	Joback Calculated Property
Cp,gas	785.39	J/mol×K	795.16	Joback Calculated Property
Cp,gas	800.31	J/mol×K	825.85	Joback Calculated Property
Cp,gas	814.35	J/mol×K	856.54	Joback Calculated Property
Cp,gas	827.53	J/mol×K	887.23	Joback Calculated Property
Cp,gas	839.85	J/mol×K	917.92	Joback Calculated Property
Cp,gas	851.34	J/mol×K	948.61	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Aminopent-4-enoic acid, N-hexyloxycarbonyl-, butyl ester.

Sources

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

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