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

InChI

InChI=1S/C14H22Cl3NO4/c1-2-3-6-9-21-11(19)13(7-4-5-8-13)18-12(20)22-10-14(15,16)17/h2-10H2,1H3,(H,18,20)

InChI Key

NYEMIIDXDXRPNC-UHFFFAOYSA-N

Formula

C14H22Cl3NO4

SMILES

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

Molecular Weight¹

374.69

• 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°	-313.34	kJ/mol	Joback Calculated Property
ΔfH°gas	-748.67	kJ/mol	Joback Calculated Property
ΔfusH°	35.50	kJ/mol	Joback Calculated Property
ΔvapH°	82.47	kJ/mol	Joback Calculated Property
log10WS	-5.14		Crippen Calculated Property
logPoct/wat	4.129		Crippen Calculated Property
McVol	258.840	ml/mol	McGowan Calculated Property
Pc	1851.52	kPa	Joback Calculated Property
Inp	[2218.00; 2218.00]
Inp	2218.00		NIST
Inp	2218.00		NIST
Tboil	847.05	K	Joback Calculated Property
Tc	1067.38	K	Joback Calculated Property
Tfus	571.50	K	Joback Calculated Property
Vc	0.978	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[750.51; 836.29]	J/mol×K	[847.05; 1067.38]
Cp,gas	750.51	J/mol×K	847.05	Joback Calculated Property
Cp,gas	765.43	J/mol×K	883.77	Joback Calculated Property
Cp,gas	779.91	J/mol×K	920.49	Joback Calculated Property
Cp,gas	794.09	J/mol×K	957.21	Joback Calculated Property
Cp,gas	808.12	J/mol×K	993.94	Joback Calculated Property
Cp,gas	822.14	J/mol×K	1030.66	Joback Calculated Property
Cp,gas	836.29	J/mol×K	1067.38	Joback Calculated Property

Similar Compounds

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

Sources

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

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