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

InChI

InChI=1S/C17H30ClNO4/c1-2-3-4-5-8-13-22-15(20)17(10-6-7-11-17)19-16(21)23-14-9-12-18/h2-14H2,1H3,(H,19,21)

InChI Key

KPJIYUYOZUIECT-UHFFFAOYSA-N

Formula

C17H30ClNO4

SMILES

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

Molecular Weight¹

347.88

• 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°	-267.06	kJ/mol	Joback Calculated Property
ΔfH°gas	-770.36	kJ/mol	Joback Calculated Property
ΔfusH°	42.29	kJ/mol	Joback Calculated Property
ΔvapH°	81.67	kJ/mol	Joback Calculated Property
log10WS	-4.99		Crippen Calculated Property
logPoct/wat	4.168		Crippen Calculated Property
McVol	276.630	ml/mol	McGowan Calculated Property
Pc	1529.46	kPa	Joback Calculated Property
Inp	[2362.00; 2362.00]
Inp	2362.00		NIST
Inp	2362.00		NIST
Tboil	844.06	K	Joback Calculated Property
Tc	1047.37	K	Joback Calculated Property
Tfus	543.05	K	Joback Calculated Property
Vc	1.058	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[870.73; 968.93]	J/mol×K	[844.06; 1047.37]
Cp,gas	870.73	J/mol×K	844.06	Joback Calculated Property
Cp,gas	888.28	J/mol×K	877.94	Joback Calculated Property
Cp,gas	905.23	J/mol×K	911.83	Joback Calculated Property
Cp,gas	921.67	J/mol×K	945.71	Joback Calculated Property
Cp,gas	937.70	J/mol×K	979.60	Joback Calculated Property
Cp,gas	953.42	J/mol×K	1013.48	Joback Calculated Property
Cp,gas	968.93	J/mol×K	1047.37	Joback Calculated Property

Similar Compounds

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

Sources

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

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