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

InChI

InChI=1S/C17H27NO4/c1-4-7-9-10-11-14-21-16(19)15(12-6-3)18-17(20)22-13-8-5-2/h2,6,15H,3-4,7-14H2,1H3,(H,18,20)

InChI Key

XICOCDSGDQZCLT-UHFFFAOYSA-N

Formula

C17H27NO4

SMILES

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

Molecular Weight¹

309.40

• 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°	22.28	kJ/mol	Joback Calculated Property
ΔfH°gas	-418.29	kJ/mol	Joback Calculated Property
ΔfusH°	48.63	kJ/mol	Joback Calculated Property
ΔvapH°	76.98	kJ/mol	Joback Calculated Property
log10WS	-4.59		Crippen Calculated Property
logPoct/wat	3.194		Crippen Calculated Property
McVol	262.350	ml/mol	McGowan Calculated Property
Pc	1541.49	kPa	Joback Calculated Property
Inp	[2103.00; 2103.00]
Inp	2103.00		NIST
Inp	2103.00		NIST
Tboil	777.47	K	Joback Calculated Property
Tc	967.20	K	Joback Calculated Property
Tfus	508.54	K	Joback Calculated Property
Vc	1.008	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[773.91; 852.14]	J/mol×K	[777.47; 967.20]
Cp,gas	773.91	J/mol×K	777.47	Joback Calculated Property
Cp,gas	789.11	J/mol×K	809.09	Joback Calculated Property
Cp,gas	803.42	J/mol×K	840.71	Joback Calculated Property
Cp,gas	816.86	J/mol×K	872.34	Joback Calculated Property
Cp,gas	829.44	J/mol×K	903.96	Joback Calculated Property
Cp,gas	841.20	J/mol×K	935.58	Joback Calculated Property
Cp,gas	852.14	J/mol×K	967.20	Joback Calculated Property

Similar Compounds

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

Sources

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

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