Chemical Properties of 1-Aminocyclopentanecarboxylic acid, N-(2,2,2-trichloroethoxycarbonyl)-, propyl ester

InChI

InChI=1S/C12H18Cl3NO4/c1-2-7-19-9(17)11(5-3-4-6-11)16-10(18)20-8-12(13,14)15/h2-8H2,1H3,(H,16,18)

InChI Key

PHQQYXCUWSDCHC-UHFFFAOYSA-N

Formula

C12H18Cl3NO4

SMILES

CCCOC(=O)C1(NC(=O)OCC(Cl)(Cl)Cl)CCCC1

Molecular Weight¹

346.63

• 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°	-330.18	kJ/mol	Joback Calculated Property
ΔfH°gas	-707.39	kJ/mol	Joback Calculated Property
ΔfusH°	30.32	kJ/mol	Joback Calculated Property
ΔvapH°	78.02	kJ/mol	Joback Calculated Property
log10WS	-4.31		Crippen Calculated Property
logPoct/wat	3.349		Crippen Calculated Property
McVol	230.660	ml/mol	McGowan Calculated Property
Pc	2200.01	kPa	Joback Calculated Property
Inp	[2040.00; 2040.00]
Inp	2040.00		NIST
Inp	2040.00		NIST
Tboil	801.29	K	Joback Calculated Property
Tc	1026.47	K	Joback Calculated Property
Tfus	548.96	K	Joback Calculated Property
Vc	0.866	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[638.28; 716.22]	J/mol×K	[801.29; 1026.47]
Cp,gas	638.28	J/mol×K	801.29	Joback Calculated Property
Cp,gas	652.04	J/mol×K	838.82	Joback Calculated Property
Cp,gas	665.30	J/mol×K	876.35	Joback Calculated Property
Cp,gas	678.21	J/mol×K	913.88	Joback Calculated Property
Cp,gas	690.90	J/mol×K	951.41	Joback Calculated Property
Cp,gas	703.52	J/mol×K	988.94	Joback Calculated Property
Cp,gas	716.22	J/mol×K	1026.47	Joback Calculated Property

Similar Compounds

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

Sources

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

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