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

InChI

InChI=1S/C20H26F3NO3/c1-2-3-7-12-27-20(26)18(13-8-5-4-6-9-13)24-19(25)14-10-11-15(21)17(23)16(14)22/h10-11,13,18H,2-9,12H2,1H3,(H,24,25)

InChI Key

IQFXGTHYWBCBJG-UHFFFAOYSA-N

Formula

C20H26F3NO3

SMILES

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

Molecular Weight¹

385.42

• 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).
• 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
ΔfG°	-634.83	kJ/mol	Joback Calculated Property
ΔfH°gas	-1097.21	kJ/mol	Joback Calculated Property
ΔfusH°	47.47	kJ/mol	Joback Calculated Property
ΔvapH°	84.30	kJ/mol	Joback Calculated Property
log10WS	-6.46		Crippen Calculated Property
logPoct/wat	4.516		Crippen Calculated Property
McVol	282.340	ml/mol	McGowan Calculated Property
Pc	1421.85	kPa	Joback Calculated Property
Inp	[2418.00; 2418.00]
Inp	2418.00		NIST
Inp	2418.00		NIST
Tboil	895.87	K	Joback Calculated Property
Tc	1106.58	K	Joback Calculated Property
Tfus	548.04	K	Joback Calculated Property
Vc	1.093	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[923.30; 993.84]	J/mol×K	[895.87; 1106.58]
Cp,gas	923.30	J/mol×K	895.87	Joback Calculated Property
Cp,gas	938.23	J/mol×K	930.99	Joback Calculated Property
Cp,gas	951.83	J/mol×K	966.11	Joback Calculated Property
Cp,gas	964.16	J/mol×K	1001.23	Joback Calculated Property
Cp,gas	975.25	J/mol×K	1036.35	Joback Calculated Property
Cp,gas	985.13	J/mol×K	1071.47	Joback Calculated Property
Cp,gas	993.84	J/mol×K	1106.58	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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