Chemical Properties of 1-Aminocyclopentanecarboxylic acid, 3-chloropropoxycarbonyl-, octyl ester

InChI

InChI=1S/C18H32ClNO4/c1-2-3-4-5-6-9-14-23-16(21)18(11-7-8-12-18)20-17(22)24-15-10-13-19/h2-15H2,1H3,(H,20,22)

InChI Key

KYRWVONMXUSQBJ-UHFFFAOYSA-N

Formula

C18H32ClNO4

SMILES

CCCCCCCCOC(=O)C1(NC(=O)OCCCCl)CCCC1

Molecular Weight¹

361.90

• 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°	-258.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-791.00	kJ/mol	Joback Calculated Property
ΔfusH°	44.88	kJ/mol	Joback Calculated Property
ΔvapH°	83.90	kJ/mol	Joback Calculated Property
log10WS	-5.41		Crippen Calculated Property
logPoct/wat	4.558		Crippen Calculated Property
McVol	290.720	ml/mol	McGowan Calculated Property
Pc	1420.78	kPa	Joback Calculated Property
Inp	[2459.00; 2459.00]
Inp	2459.00		NIST
Inp	2459.00		NIST
Tboil	866.94	K	Joback Calculated Property
Tc	1070.99	K	Joback Calculated Property
Tfus	554.32	K	Joback Calculated Property
Vc	1.115	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[930.97; 1032.73]	J/mol×K	[866.94; 1070.99]
Cp,gas	930.97	J/mol×K	866.94	Joback Calculated Property
Cp,gas	949.08	J/mol×K	900.95	Joback Calculated Property
Cp,gas	966.58	J/mol×K	934.96	Joback Calculated Property
Cp,gas	983.60	J/mol×K	968.96	Joback Calculated Property
Cp,gas	1000.23	J/mol×K	1002.97	Joback Calculated Property
Cp,gas	1016.57	J/mol×K	1036.98	Joback Calculated Property
Cp,gas	1032.73	J/mol×K	1070.99	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Aminocyclopentanecarboxylic acid, 3-chloropropoxycarbonyl-, octyl ester.

Sources

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

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