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

InChI

InChI=1S/C17H29NO4/c1-4-7-9-10-11-14-21-16(19)15(12-6-3)18-17(20)22-13-8-5-2/h5-6,15H,2-4,7-14H2,1H3,(H,18,20)

InChI Key

SJLXMVUBKVVDPA-UHFFFAOYSA-N

Formula

C17H29NO4

SMILES

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

Molecular Weight¹

311.42

• 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°	-112.95	kJ/mol	Joback Calculated Property
ΔfH°gas	-584.76	kJ/mol	Joback Calculated Property
ΔfusH°	44.38	kJ/mol	Joback Calculated Property
ΔvapH°	76.46	kJ/mol	Joback Calculated Property
log10WS	-4.65		Crippen Calculated Property
logPoct/wat	3.747		Crippen Calculated Property
McVol	266.650	ml/mol	McGowan Calculated Property
Pc	1420.78	kPa	Joback Calculated Property
Inp	[2041.00; 2041.00]
Inp	2041.00		NIST
Inp	2041.00		NIST
Tboil	784.03	K	Joback Calculated Property
Tc	970.46	K	Joback Calculated Property
Tfus	459.81	K	Joback Calculated Property
Vc	1.026	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[801.25; 881.86]	J/mol×K	[784.03; 970.46]
Cp,gas	801.25	J/mol×K	784.03	Joback Calculated Property
Cp,gas	816.91	J/mol×K	815.10	Joback Calculated Property
Cp,gas	831.66	J/mol×K	846.17	Joback Calculated Property
Cp,gas	845.50	J/mol×K	877.25	Joback Calculated Property
Cp,gas	858.47	J/mol×K	908.32	Joback Calculated Property
Cp,gas	870.59	J/mol×K	939.39	Joback Calculated Property
Cp,gas	881.86	J/mol×K	970.46	Joback Calculated Property

Similar Compounds

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

Sources

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

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