Chemical Properties of 1-Aminocyclopentanecarboxylic acid, N-(propoxycarbonyl)-, isobutyl ester

InChI

InChI=1S/C14H25NO4/c1-4-9-18-13(17)15-14(7-5-6-8-14)12(16)19-10-11(2)3/h11H,4-10H2,1-3H3,(H,15,17)

InChI Key

JJQZRPZQZFBGKL-UHFFFAOYSA-N

Formula

C14H25NO4

SMILES

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

Molecular Weight¹

271.35

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.7463		Relay (... Calculated Property
ΔfG°	-282.83	kJ/mol	Joback Calculated Property
ΔfH°gas	-897.98	kJ/mol	Relay (... Calculated Property
ΔfusH°	26.80	kJ/mol	Joback Calculated Property
ΔvapH°	81.70	kJ/mol	Relay (... Calculated Property
IE	8.96	eV	Relay (... Calculated Property
log10WS	-3.42		Relay (... Calculated Property
logPoct/wat	2.635		Crippen Calculated Property
McVol	222.120	ml/mol	McGowan Calculated Property
Pc	2021.76	kPa	Joback Calculated Property
Inp	[1793.00; 1793.00]
Inp	1793.00		NIST
Inp	1793.00		NIST
Tboil	582.60	K	Relay (... Calculated Property
Tc	780.83	K	Relay (... Calculated Property
Tfus	309.08	K	Relay (... Calculated Property
Vc	0.808	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[667.85; 761.03]	J/mol×K	[737.55; 941.93]
Cp,gas	667.85	J/mol×K	737.55	Joback Calculated Property
Cp,gas	684.95	J/mol×K	771.61	Joback Calculated Property
Cp,gas	701.30	J/mol×K	805.68	Joback Calculated Property
Cp,gas	717.00	J/mol×K	839.74	Joback Calculated Property
Cp,gas	732.13	J/mol×K	873.80	Joback Calculated Property
Cp,gas	746.77	J/mol×K	907.86	Joback Calculated Property
Cp,gas	761.03	J/mol×K	941.93	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Aminocyclopentanecarboxylic acid, N-(propoxycarbonyl)-, isobutyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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