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

InChI

InChI=1S/C13H20Cl3NO4/c1-9(2)7-20-10(18)12(5-3-4-6-12)17-11(19)21-8-13(14,15)16/h9H,3-8H2,1-2H3,(H,17,19)

InChI Key

XEYXNVFWHVRQAC-UHFFFAOYSA-N

Formula

C13H20Cl3NO4

SMILES

CC(C)COC(=O)C1(NC(=O)OCC(Cl)(Cl)Cl)CCCC1

Molecular Weight¹

360.66

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.7145		Relay (... Calculated Property
ΔfG°	-324.20	kJ/mol	Joback Calculated Property
ΔfH°gas	-925.93	kJ/mol	Relay (... Calculated Property
ΔfusH°	29.39	kJ/mol	Joback Calculated Property
ΔvapH°	90.52	kJ/mol	Relay (... Calculated Property
IE	9.54	eV	Relay (... Calculated Property
log10WS	-5.07		Relay (... Calculated Property
logPoct/wat	3.595		Crippen Calculated Property
McVol	244.750	ml/mol	McGowan Calculated Property
Pc	2029.06	kPa	Joback Calculated Property
Inp	[2087.00; 2087.00]
Inp	2087.00		NIST
Inp	2087.00		NIST
Tboil	605.87	K	Relay (... Calculated Property
Tc	840.83	K	Relay (... Calculated Property
Tfus	386.34	K	Relay (... Calculated Property
Vc	0.866	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[694.41; 777.16]	J/mol×K	[823.73; 1049.46]
Cp,gas	694.41	J/mol×K	823.73	Joback Calculated Property
Cp,gas	708.94	J/mol×K	861.35	Joback Calculated Property
Cp,gas	722.98	J/mol×K	898.97	Joback Calculated Property
Cp,gas	736.68	J/mol×K	936.60	Joback Calculated Property
Cp,gas	750.17	J/mol×K	974.22	Joback Calculated Property
Cp,gas	763.62	J/mol×K	1011.84	Joback Calculated Property
Cp,gas	777.16	J/mol×K	1049.46	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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