Chemical Properties of Glycine, 2-cyclohexyl-N-(2,2,2-trichloroethoxy)carbonyl-, propyl ester

InChI

InChI=1S/C14H22Cl3NO4/c1-2-8-21-12(19)11(10-6-4-3-5-7-10)18-13(20)22-9-14(15,16)17/h10-11H,2-9H2,1H3,(H,18,20)

InChI Key

BXIZNZWYGUPGTK-UHFFFAOYSA-N

Formula

C14H22Cl3NO4

SMILES

CCCOC(=O)C(NC(=O)OCC(Cl)(Cl)Cl)C1CCCCC1

Molecular Weight¹

374.69

• 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	0.7032		Relay (1.0) Calculated Property
ΔfG°	-322.39	kJ/mol	Joback Calculated Property
ΔfH°gas	-960.53	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.18	kJ/mol	Joback Calculated Property
ΔvapH°	94.56	kJ/mol	Relay (1.0) Calculated Property
IE	9.43	eV	Relay (1.0) Calculated Property
log10WS	-5.34		Relay (1.0) Calculated Property
logPoct/wat	3.985		Crippen Calculated Property
McVol	258.840	ml/mol	McGowan Calculated Property
Pc	1832.54	kPa	Joback Calculated Property
Inp	[3374.00; 3374.00]
Inp	3374.00		NIST
Inp	3374.00		NIST
Tboil	618.53	K	Relay (1.0) Calculated Property
Tc	849.50	K	Relay (1.0) Calculated Property
Tfus	366.51	K	Relay (1.0) Calculated Property
Vc	0.897	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[758.24; 821.78]	J/mol×K	[850.64; 1073.32]
Cp,gas	758.24	J/mol×K	850.64	Joback Calculated Property
Cp,gas	771.81	J/mol×K	887.75	Joback Calculated Property
Cp,gas	784.13	J/mol×K	924.87	Joback Calculated Property
Cp,gas	795.24	J/mol×K	961.98	Joback Calculated Property
Cp,gas	805.19	J/mol×K	999.09	Joback Calculated Property
Cp,gas	814.03	J/mol×K	1036.21	Joback Calculated Property
Cp,gas	821.78	J/mol×K	1073.32	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glycine, 2-cyclohexyl-N-(2,2,2-trichloroethoxy)carbonyl-, propyl ester.

Sources

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

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