Chemical Properties of 2-Aminopent-4-enoic acid, N-(but-2-yn-1-yloxycarbonyl)-, 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/h6,14H,3-4,7,9-13H2,1-2H3,(H,17,19)

InChI Key

NMFCXINHFGYYNW-UHFFFAOYSA-N

Formula

C16H25NO4

SMILES

C=CCC(NC(=O)OCC#CC)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°	-6.41	kJ/mol	Joback Calculated Property
ΔfH°gas	-417.25	kJ/mol	Joback Calculated Property
ΔfusH°	46.19	kJ/mol	Joback Calculated Property
ΔvapH°	77.05	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	1681.03	kPa	Joback Calculated Property
Inp	[2070.00; 2070.00]
Inp	2070.00		NIST
Inp	2070.00		NIST
Tboil	773.47	K	Joback Calculated Property
Tc	969.65	K	Joback Calculated Property
Tfus	556.40	K	Joback Calculated Property
Vc	0.952	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[721.40; 798.51]	J/mol×K	[773.47; 969.65]
Cp,gas	721.40	J/mol×K	773.47	Joback Calculated Property
Cp,gas	736.51	J/mol×K	806.17	Joback Calculated Property
Cp,gas	750.70	J/mol×K	838.86	Joback Calculated Property
Cp,gas	763.98	J/mol×K	871.56	Joback Calculated Property
Cp,gas	776.37	J/mol×K	904.26	Joback Calculated Property
Cp,gas	787.88	J/mol×K	936.95	Joback Calculated Property
Cp,gas	798.51	J/mol×K	969.65	Joback Calculated Property

Similar Compounds

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

Sources

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

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