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

InChI

InChI=1S/C14H17NO4/c1-4-7-10-18-13(16)12(9-6-3)15-14(17)19-11-8-5-2/h1-2,6,12H,3,7-11H2,(H,15,17)

InChI Key

LFIGRVKINWYBHD-UHFFFAOYSA-N

Formula

C14H17NO4

SMILES

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

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°	220.09	kJ/mol	Joback Calculated Property
ΔfH°gas	-64.47	kJ/mol	Joback Calculated Property
ΔfusH°	43.84	kJ/mol	Joback Calculated Property
ΔvapH°	70.16	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	2244.00	kPa	Joback Calculated Property
Inp	[1834.00; 1834.00]
Inp	1834.00		NIST
Inp	1834.00		NIST
Tboil	698.95	K	Joback Calculated Property
Tc	899.27	K	Joback Calculated Property
Tfus	521.70	K	Joback Calculated Property
Vc	0.801	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[559.62; 626.07]	J/mol×K	[698.95; 899.27]
Cp,gas	559.62	J/mol×K	698.95	Joback Calculated Property
Cp,gas	572.54	J/mol×K	732.34	Joback Calculated Property
Cp,gas	584.69	J/mol×K	765.72	Joback Calculated Property
Cp,gas	596.10	J/mol×K	799.11	Joback Calculated Property
Cp,gas	606.78	J/mol×K	832.49	Joback Calculated Property
Cp,gas	616.77	J/mol×K	865.88	Joback Calculated Property
Cp,gas	626.07	J/mol×K	899.27	Joback Calculated Property

Similar Compounds

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

Sources

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

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