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

InChI

InChI=1S/C14H17NO4/c1-4-7-10-18-13(16)12(9-6-3)15-14(17)19-11-8-5-2/h6,12H,3,9-11H2,1-2H3,(H,15,17)

InChI Key

TYKGGJIMFGHDCW-UHFFFAOYSA-N

Formula

C14H17NO4

SMILES

C=CCC(NC(=O)OCC#CC)C(=O)OCC#CC

Molecular Weight¹

263.29

• 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°	179.55	kJ/mol	Joback Calculated Property
ΔfH°gas	-103.67	kJ/mol	Joback Calculated Property
ΔfusH°	44.13	kJ/mol	Joback Calculated Property
ΔvapH°	74.75	kJ/mol	Joback Calculated Property
log10WS	-3.13		Crippen Calculated Property
logPoct/wat	1.247		Crippen Calculated Property
McVol	211.480	ml/mol	McGowan Calculated Property
Pc	2295.91	kPa	Joback Calculated Property
Inp	[1968.00; 1968.00]
Inp	1968.00		NIST
Inp	1968.00		NIST
Tboil	736.71	K	Joback Calculated Property
Tc	953.36	K	Joback Calculated Property
Tfus	639.96	K	Joback Calculated Property
Vc	0.801	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[563.48; 632.54]	J/mol×K	[736.71; 953.36]
Cp,gas	563.48	J/mol×K	736.71	Joback Calculated Property
Cp,gas	577.18	J/mol×K	772.82	Joback Calculated Property
Cp,gas	590.01	J/mol×K	808.93	Joback Calculated Property
Cp,gas	601.95	J/mol×K	845.04	Joback Calculated Property
Cp,gas	613.02	J/mol×K	881.15	Joback Calculated Property
Cp,gas	623.21	J/mol×K	917.25	Joback Calculated Property
Cp,gas	632.54	J/mol×K	953.36	Joback Calculated Property

Similar Compounds

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

Sources

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

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