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

InChI

InChI=1S/C23H32F3NO3/c1-2-3-4-5-6-10-15-30-23(29)21(16-11-8-7-9-12-16)27-22(28)17-13-14-18(24)20(26)19(17)25/h13-14,16,21H,2-12,15H2,1H3,(H,27,28)

InChI Key

FYALDWWLNRZDES-UHFFFAOYSA-N

Formula

C23H32F3NO3

SMILES

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

Molecular Weight¹

427.50

• 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	0.9622		Relay (1.0) Calculated Property
ΔfG°	-609.57	kJ/mol	Joback Calculated Property
ΔfH°gas	-1182.39	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	55.24	kJ/mol	Joback Calculated Property
ΔvapH°	114.52	kJ/mol	Relay (1.0) Calculated Property
IE	8.90	eV	Relay (1.0) Calculated Property
log10WS	-7.01		Relay (1.0) Calculated Property
logPoct/wat	5.686		Crippen Calculated Property
McVol	324.610	ml/mol	McGowan Calculated Property
Pc	1156.93	kPa	Joback Calculated Property
Inp	[2717.00; 2717.00]
Inp	2717.00		NIST
Inp	2717.00		NIST
Tboil	677.97	K	Relay (1.0) Calculated Property
Tc	903.85	K	Relay (1.0) Calculated Property
Tfus	363.85	K	Relay (1.0) Calculated Property
Vc	1.163	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1103.61; 1173.84]	J/mol×K	[964.51; 1181.99]
Cp,gas	1103.61	J/mol×K	964.51	Joback Calculated Property
Cp,gas	1118.83	J/mol×K	1000.76	Joback Calculated Property
Cp,gas	1132.57	J/mol×K	1037.00	Joback Calculated Property
Cp,gas	1144.90	J/mol×K	1073.25	Joback Calculated Property
Cp,gas	1155.85	J/mol×K	1109.50	Joback Calculated Property
Cp,gas	1165.48	J/mol×K	1145.74	Joback Calculated Property
Cp,gas	1173.84	J/mol×K	1181.99	Joback Calculated Property

Similar Compounds

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

Sources

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

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