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

InChI

InChI=1S/C14H24ClNO4/c1-11(2)10-20-12(17)14(6-3-4-7-14)16-13(18)19-9-5-8-15/h11H,3-10H2,1-2H3,(H,16,18)

InChI Key

HLHCUHZTRVHYFG-UHFFFAOYSA-N

Formula

C14H24ClNO4

SMILES

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

Molecular Weight¹

305.80

• 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°	-294.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-713.72	kJ/mol	Joback Calculated Property
ΔfusH°	31.00	kJ/mol	Joback Calculated Property
ΔvapH°	74.61	kJ/mol	Joback Calculated Property
log10WS	-3.49		Crippen Calculated Property
logPoct/wat	2.853		Crippen Calculated Property
McVol	234.360	ml/mol	McGowan Calculated Property
Pc	1956.14	kPa	Joback Calculated Property
Inp	[2054.00; 2054.00]
Inp	2054.00		NIST
Inp	2054.00		NIST
Tboil	774.98	K	Joback Calculated Property
Tc	982.96	K	Joback Calculated Property
Tfus	494.24	K	Joback Calculated Property
Vc	0.884	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[696.68; 786.21]	J/mol×K	[774.98; 982.96]
Cp,gas	696.68	J/mol×K	774.98	Joback Calculated Property
Cp,gas	712.95	J/mol×K	809.64	Joback Calculated Property
Cp,gas	728.55	J/mol×K	844.31	Joback Calculated Property
Cp,gas	743.58	J/mol×K	878.97	Joback Calculated Property
Cp,gas	758.14	J/mol×K	913.63	Joback Calculated Property
Cp,gas	772.31	J/mol×K	948.30	Joback Calculated Property
Cp,gas	786.21	J/mol×K	982.96	Joback Calculated Property

Similar Compounds

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

Sources

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

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