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

InChI

InChI=1S/C16H27NO4/c1-4-7-9-10-13-20-15(18)14(11-6-3)17-16(19)21-12-8-5-2/h5-6,14H,2-4,7-13H2,1H3,(H,17,19)

InChI Key

WWMJLKKYJSSJGS-UHFFFAOYSA-N

Formula

C16H27NO4

SMILES

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

Molecular Weight¹

297.39

• 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°	-121.37	kJ/mol	Joback Calculated Property
ΔfH°gas	-564.12	kJ/mol	Joback Calculated Property
ΔfusH°	41.79	kJ/mol	Joback Calculated Property
ΔvapH°	74.23	kJ/mol	Joback Calculated Property
log10WS	-4.23		Crippen Calculated Property
logPoct/wat	3.357		Crippen Calculated Property
McVol	252.560	ml/mol	McGowan Calculated Property
Pc	1529.46	kPa	Joback Calculated Property
Inp	[1945.00; 1945.00]
Inp	1945.00		NIST
Inp	1945.00		NIST
Tboil	761.15	K	Joback Calculated Property
Tc	946.74	K	Joback Calculated Property
Tfus	448.54	K	Joback Calculated Property
Vc	0.971	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[743.99; 822.96]	J/mol×K	[761.15; 946.74]
Cp,gas	743.99	J/mol×K	761.15	Joback Calculated Property
Cp,gas	759.28	J/mol×K	792.08	Joback Calculated Property
Cp,gas	773.69	J/mol×K	823.01	Joback Calculated Property
Cp,gas	787.25	J/mol×K	853.95	Joback Calculated Property
Cp,gas	799.97	J/mol×K	884.88	Joback Calculated Property
Cp,gas	811.86	J/mol×K	915.81	Joback Calculated Property
Cp,gas	822.96	J/mol×K	946.74	Joback Calculated Property

Similar Compounds

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

Sources

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

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