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

InChI

InChI=1S/C18H22F3NO3/c1-2-10-25-18(24)16(11-6-4-3-5-7-11)22-17(23)12-8-9-13(19)15(21)14(12)20/h8-9,11,16H,2-7,10H2,1H3,(H,22,23)

InChI Key

XRTMSWBHVZHBOY-UHFFFAOYSA-N

Formula

C18H22F3NO3

SMILES

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

Molecular Weight¹

357.37

• 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°	-651.67	kJ/mol	Joback Calculated Property
ΔfH°gas	-1055.93	kJ/mol	Joback Calculated Property
ΔfusH°	42.29	kJ/mol	Joback Calculated Property
ΔvapH°	79.85	kJ/mol	Joback Calculated Property
log10WS	-5.62		Crippen Calculated Property
logPoct/wat	3.736		Crippen Calculated Property
McVol	254.160	ml/mol	McGowan Calculated Property
Pc	1652.46	kPa	Joback Calculated Property
Inp	[2236.00; 2236.00]
Inp	2236.00		NIST
Inp	2236.00		NIST
Tboil	850.11	K	Joback Calculated Property
Tc	1060.35	K	Joback Calculated Property
Tfus	525.50	K	Joback Calculated Property
Vc	0.982	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[806.12; 876.44]	J/mol×K	[850.11; 1060.35]
Cp,gas	806.12	J/mol×K	850.11	Joback Calculated Property
Cp,gas	820.85	J/mol×K	885.15	Joback Calculated Property
Cp,gas	834.34	J/mol×K	920.19	Joback Calculated Property
Cp,gas	846.61	J/mol×K	955.23	Joback Calculated Property
Cp,gas	857.70	J/mol×K	990.27	Joback Calculated Property
Cp,gas	867.63	J/mol×K	1025.31	Joback Calculated Property
Cp,gas	876.44	J/mol×K	1060.35	Joback Calculated Property

Similar Compounds

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

Sources

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

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