Chemical Properties of Glycine, 2-cyclohexyl-N-(2,3,4-trifluorobenzoyl)-, ethyl ester

InChI

InChI=1S/C17H20F3NO3/c1-2-24-17(23)15(10-6-4-3-5-7-10)21-16(22)11-8-9-12(18)14(20)13(11)19/h8-10,15H,2-7H2,1H3,(H,21,22)

InChI Key

QXYMYRACOQGFQG-UHFFFAOYSA-N

Formula

C17H20F3NO3

SMILES

CCOC(=O)C(NC(=O)c1ccc(F)c(F)c1F)C1CCCCC1

Molecular Weight¹

343.34

• 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	0.7053		Relay (1.0) Calculated Property
ΔfG°	-660.09	kJ/mol	Joback Calculated Property
ΔfH°gas	-1064.17	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	39.70	kJ/mol	Joback Calculated Property
ΔvapH°	97.77	kJ/mol	Relay (1.0) Calculated Property
IE	8.87	eV	Relay (1.0) Calculated Property
log10WS	-5.33		Relay (1.0) Calculated Property
logPoct/wat	3.346		Crippen Calculated Property
McVol	240.070	ml/mol	McGowan Calculated Property
Pc	1789.39	kPa	Joback Calculated Property
Inp	[2151.00; 2151.00]
Inp	2151.00		NIST
Inp	2151.00		NIST
Tboil	627.80	K	Relay (1.0) Calculated Property
Tc	852.33	K	Relay (1.0) Calculated Property
Tfus	372.22	K	Relay (1.0) Calculated Property
Vc	0.843	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[748.63; 818.62]	J/mol×K	[827.23; 1038.28]
Cp,gas	748.63	J/mol×K	827.23	Joback Calculated Property
Cp,gas	763.24	J/mol×K	862.41	Joback Calculated Property
Cp,gas	776.64	J/mol×K	897.58	Joback Calculated Property
Cp,gas	788.85	J/mol×K	932.76	Joback Calculated Property
Cp,gas	799.90	J/mol×K	967.93	Joback Calculated Property
Cp,gas	809.81	J/mol×K	1003.11	Joback Calculated Property
Cp,gas	818.62	J/mol×K	1038.28	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glycine, 2-cyclohexyl-N-(2,3,4-trifluorobenzoyl)-, ethyl ester.

Sources

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

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