Chemical Properties of 1-Aminocyclopentanecarboxylic acid, N-(but-3-en-1-yloxycarbonyl)-, ethyl ester

InChI

InChI=1S/C13H21NO4/c1-3-5-10-18-12(16)14-13(8-6-7-9-13)11(15)17-4-2/h3H,1,4-10H2,2H3,(H,14,16)

InChI Key

JUXHCVATXCVWDL-UHFFFAOYSA-N

Formula

C13H21NO4

SMILES

C=CCCOC(=O)NC1(C(=O)OCC)CCCC1

Molecular Weight¹

255.31

• 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°	-200.97	kJ/mol	Joback Calculated Property
ΔfH°gas	-546.63	kJ/mol	Joback Calculated Property
ΔfusH°	26.46	kJ/mol	Joback Calculated Property
ΔvapH°	67.72	kJ/mol	Joback Calculated Property
log10WS	-3.02		Crippen Calculated Property
logPoct/wat	2.165		Crippen Calculated Property
McVol	203.730	ml/mol	McGowan Calculated Property
Pc	2280.59	kPa	Joback Calculated Property
Inp	[1726.00; 1726.00]
Inp	1726.00		NIST
Inp	1726.00		NIST
Tboil	711.79	K	Joback Calculated Property
Tc	918.31	K	Joback Calculated Property
Tfus	466.29	K	Joback Calculated Property
Vc	0.766	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[587.63; 673.63]	J/mol×K	[711.79; 918.31]
Cp,gas	587.63	J/mol×K	711.79	Joback Calculated Property
Cp,gas	603.44	J/mol×K	746.21	Joback Calculated Property
Cp,gas	618.54	J/mol×K	780.63	Joback Calculated Property
Cp,gas	633.01	J/mol×K	815.05	Joback Calculated Property
Cp,gas	646.96	J/mol×K	849.47	Joback Calculated Property
Cp,gas	660.47	J/mol×K	883.89	Joback Calculated Property
Cp,gas	673.63	J/mol×K	918.31	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Aminocyclopentanecarboxylic acid, N-(but-3-en-1-yloxycarbonyl)-, ethyl ester.

Sources

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

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