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

InChI

InChI=1S/C13H20Cl3NO4/c1-2-3-8-20-10(18)12(6-4-5-7-12)17-11(19)21-9-13(14,15)16/h2-9H2,1H3,(H,17,19)

InChI Key

PHCGUJQTGKLKHC-UHFFFAOYSA-N

Formula

C13H20Cl3NO4

SMILES

CCCCOC(=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	0.7388		Relay (... Calculated Property
ΔfG°	-321.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-908.33	kJ/mol	Relay (... Calculated Property
ΔfusH°	32.91	kJ/mol	Joback Calculated Property
ΔvapH°	93.51	kJ/mol	Relay (... Calculated Property
IE	9.55	eV	Relay (... Calculated Property
log10WS	-5.19		Relay (... Calculated Property
logPoct/wat	3.739		Crippen Calculated Property
McVol	244.750	ml/mol	McGowan Calculated Property
Pc	2014.51	kPa	Joback Calculated Property
Inp	[2127.00; 2127.00]
Inp	2127.00		NIST
Inp	2127.00		NIST
Tboil	604.76	K	Relay (... Calculated Property
Tc	843.29	K	Relay (... Calculated Property
Tfus	363.36	K	Relay (... Calculated Property
Vc	0.866	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[693.84; 775.69]	J/mol×K	[824.17; 1046.61]
Cp,gas	693.84	J/mol×K	824.17	Joback Calculated Property
Cp,gas	708.18	J/mol×K	861.24	Joback Calculated Property
Cp,gas	722.05	J/mol×K	898.32	Joback Calculated Property
Cp,gas	735.59	J/mol×K	935.39	Joback Calculated Property
Cp,gas	748.96	J/mol×K	972.47	Joback Calculated Property
Cp,gas	762.28	J/mol×K	1009.54	Joback Calculated Property
Cp,gas	775.69	J/mol×K	1046.61	Joback Calculated Property

Similar Compounds

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

Sources

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

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