Chemical Properties of N-(2-chloro-4-(3-chloro-4-[(trifluoroacetyl)amino]benzyl)phenyl)-N-(trifluoroacetyl)-2,2,2-trifluoroacetamide

InChI

InChI=1S/C19H9Cl2F9N2O3/c20-10-6-8(1-3-12(10)31-14(33)17(22,23)24)5-9-2-4-13(11(21)7-9)32(15(34)18(25,26)27)16(35)19(28,29)30/h1-4,6-7H,5H2,(H,31,33)

InChI Key

SKDUEBZQFUMGNX-UHFFFAOYSA-N

Formula

C19H9Cl2F9N2O3

SMILES

O=C(Nc1ccc(Cc2ccc(N(C(=O)C(F)(F)F)C(=O)C(F)(F)F)c(Cl)c2)cc1Cl)C(F)(F)F

Molecular Weight¹

555.18

Other Names

• Acetamide, N,N'-[methylenebis(2-chloro-4,1-phenylene)]tris[2,2,2-trifluoro-
• N,N'-[Methanediylbis(2-chlorobenzene-4,1-diyl)]tris(2,2,2-trifluoroacetamide)
• N-[2-Chloro-4-[[3-chloro-4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]phenyl]-bis(2,2,2-trifluoro-acetamide)
• N,N'-[Methylenebis(2-chloro-4,1-phenylene)]tris(2,2,2-trifluoroacetamide)
• N-(2-chloro-4-{3-chloro-4-[(trifluoroacetyl)amino]benzyl}phenyl)-N-(trifluoroacetyl)-2,2,2-trifluoroacetamide

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[434.92; 876.90]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-7.63900e+00
Coefficient B			2.02630e+00
Coefficient C			-1.61294e-03
Coefficient D			4.71180e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	434.92	J/mol×K	273.00	Calculated Property
Cp,gas	528.21	J/mol×K	353.78	Calculated Property
Cp,gas	606.98	J/mol×K	434.56	Calculated Property
Cp,gas	672.72	J/mol×K	515.33	Calculated Property
Cp,gas	726.91	J/mol×K	596.11	Calculated Property
Cp,gas	771.06	J/mol×K	676.89	Calculated Property
Cp,gas	806.64	J/mol×K	757.67	Calculated Property
Cp,gas	835.14	J/mol×K	838.44	Calculated Property
Cp,gas	858.07	J/mol×K	919.22	Calculated Property
Cp,gas	876.90	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to N-(2-chloro-4-(3-chloro-4-[(trifluoroacetyl)amino]benzyl)phenyl)-N-(trifluoroacetyl)-2,2,2-trifluoroacetamide.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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