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

InChI

InChI=1S/C21H38ClNO4/c1-2-3-4-5-6-7-8-9-12-17-26-19(24)21(14-10-11-15-21)23-20(25)27-18-13-16-22/h2-18H2,1H3,(H,23,25)

InChI Key

QWYXYEPPPBLLMO-UHFFFAOYSA-N

Formula

C21H38ClNO4

SMILES

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

Molecular Weight¹

403.98

• 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°	-233.38	kJ/mol	Joback Calculated Property
ΔfH°gas	-852.92	kJ/mol	Joback Calculated Property
ΔfusH°	52.65	kJ/mol	Joback Calculated Property
ΔvapH°	90.58	kJ/mol	Joback Calculated Property
log10WS	-6.67		Crippen Calculated Property
logPoct/wat	5.728		Crippen Calculated Property
McVol	332.990	ml/mol	McGowan Calculated Property
Pc	1156.14	kPa	Joback Calculated Property
Inp	[2758.00; 2758.00]
Inp	2758.00		NIST
Inp	2758.00		NIST
Tboil	935.58	K	Joback Calculated Property
Tc	1146.58	K	Joback Calculated Property
Tfus	588.13	K	Joback Calculated Property
Vc	1.282	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1117.20; 1231.80]	J/mol×K	[935.58; 1146.58]
Cp,gas	1117.20	J/mol×K	935.58	Joback Calculated Property
Cp,gas	1137.28	J/mol×K	970.75	Joback Calculated Property
Cp,gas	1156.81	J/mol×K	1005.91	Joback Calculated Property
Cp,gas	1175.91	J/mol×K	1041.08	Joback Calculated Property
Cp,gas	1194.69	J/mol×K	1076.25	Joback Calculated Property
Cp,gas	1213.28	J/mol×K	1111.42	Joback Calculated Property
Cp,gas	1231.80	J/mol×K	1146.58	Joback Calculated Property

Similar Compounds

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

Sources

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

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