Chemical Properties of 1-Aminocyclopentanecarboxylic acid, N-(2-chloroethoxycarbonyl)-, isobutyl ester

InChI

InChI=1S/C13H22ClNO4/c1-10(2)9-19-11(16)13(5-3-4-6-13)15-12(17)18-8-7-14/h10H,3-9H2,1-2H3,(H,15,17)

InChI Key

RWNJIUTUVKLSLG-UHFFFAOYSA-N

Formula

C13H22ClNO4

SMILES

CC(C)COC(=O)C1(NC(=O)OCCCl)CCCC1

Molecular Weight¹

291.77

• 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	0.7526		Relay (... Calculated Property
ΔfG°	-303.18	kJ/mol	Joback Calculated Property
ΔfH°gas	-902.36	kJ/mol	Relay (... Calculated Property
ΔfusH°	28.41	kJ/mol	Joback Calculated Property
ΔvapH°	85.89	kJ/mol	Relay (... Calculated Property
IE	9.33	eV	Relay (... Calculated Property
log10WS	-3.48		Relay (... Calculated Property
logPoct/wat	2.463		Crippen Calculated Property
McVol	220.270	ml/mol	McGowan Calculated Property
Pc	2133.46	kPa	Joback Calculated Property
Inp	[1920.00; 1920.00]
Inp	1920.00		NIST
Inp	1920.00		NIST
Tboil	590.94	K	Relay (... Calculated Property
Tc	812.66	K	Relay (... Calculated Property
Tfus	332.15	K	Relay (... Calculated Property
Vc	0.778	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[640.70; 727.16]	J/mol×K	[752.10; 962.15]
Cp,gas	640.70	J/mol×K	752.10	Joback Calculated Property
Cp,gas	656.49	J/mol×K	787.11	Joback Calculated Property
Cp,gas	671.60	J/mol×K	822.12	Joback Calculated Property
Cp,gas	686.12	J/mol×K	857.12	Joback Calculated Property
Cp,gas	700.16	J/mol×K	892.13	Joback Calculated Property
Cp,gas	713.81	J/mol×K	927.14	Joback Calculated Property
Cp,gas	727.16	J/mol×K	962.15	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Aminocyclopentanecarboxylic acid, N-(2-chloroethoxycarbonyl)-, isobutyl ester.

Sources

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

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