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

InChI

InChI=1S/C13H22ClNO4/c1-2-3-9-18-11(16)13(6-4-5-7-13)15-12(17)19-10-8-14/h2-10H2,1H3,(H,15,17)

InChI Key

ZJLONBCFVZGRHI-UHFFFAOYSA-N

Formula

C13H22ClNO4

SMILES

CCCCOC(=O)C1(NC(=O)OCCCl)CCCC1

Molecular Weight¹

291.77

• 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°	-300.74	kJ/mol	Joback Calculated Property
ΔfH°gas	-687.80	kJ/mol	Joback Calculated Property
ΔfusH°	31.93	kJ/mol	Joback Calculated Property
ΔvapH°	72.77	kJ/mol	Joback Calculated Property
log10WS	-3.32		Crippen Calculated Property
logPoct/wat	2.607		Crippen Calculated Property
McVol	220.270	ml/mol	McGowan Calculated Property
Pc	2117.78	kPa	Joback Calculated Property
Inp	[1962.00; 1962.00]
Inp	1962.00		NIST
Inp	1962.00		NIST
Tboil	752.54	K	Joback Calculated Property
Tc	959.42	K	Joback Calculated Property
Tfus	497.97	K	Joback Calculated Property
Vc	0.835	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[640.15; 725.52]	J/mol×K	[752.54; 959.42]
Cp,gas	640.15	J/mol×K	752.54	Joback Calculated Property
Cp,gas	655.70	J/mol×K	787.02	Joback Calculated Property
Cp,gas	670.59	J/mol×K	821.50	Joback Calculated Property
Cp,gas	684.93	J/mol×K	855.98	Joback Calculated Property
Cp,gas	698.80	J/mol×K	890.46	Joback Calculated Property
Cp,gas	712.30	J/mol×K	924.94	Joback Calculated Property
Cp,gas	725.52	J/mol×K	959.42	Joback Calculated Property

Similar Compounds

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

Sources

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

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