Chemical Properties of Benzamide, 3-trifluoromethyl-2-fluoro-N-(3-trifluoromethyl-2-fluorobenzoyl)-N-isobutyl-

InChI

InChI=1S/C20H15F8NO2/c1-10(2)9-29(17(30)11-5-3-7-13(15(11)21)19(23,24)25)18(31)12-6-4-8-14(16(12)22)20(26,27)28/h3-8,10H,9H2,1-2H3

InChI Key

BSERCVNJMNQIEN-UHFFFAOYSA-N

Formula

C20H15F8NO2

SMILES

CC(C)CN(C(=O)c1cccc(C(F)(F)F)c1F)C(=O)c1cccc(C(F)(F)F)c1F

Molecular Weight¹

453.33

• 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°	-1398.48	kJ/mol	Joback Calculated Property
ΔfH°gas	-1778.24	kJ/mol	Joback Calculated Property
ΔfusH°	46.59	kJ/mol	Joback Calculated Property
ΔvapH°	73.33	kJ/mol	Joback Calculated Property
log10WS	-7.47		Crippen Calculated Property
logPoct/wat	5.941		Crippen Calculated Property
McVol	272.420	ml/mol	McGowan Calculated Property
Pc	1345.70	kPa	Joback Calculated Property
Inp	[1902.00; 1902.00]
Inp	1902.00		NIST
Inp	1902.00		NIST
Tboil	837.72	K	Joback Calculated Property
Tc	1035.62	K	Joback Calculated Property
Tfus	544.97	K	Joback Calculated Property
Vc	1.085	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[827.26; 887.05]	J/mol×K	[837.72; 1035.62]
Cp,gas	827.26	J/mol×K	837.72	Joback Calculated Property
Cp,gas	839.15	J/mol×K	870.70	Joback Calculated Property
Cp,gas	850.16	J/mol×K	903.69	Joback Calculated Property
Cp,gas	860.37	J/mol×K	936.67	Joback Calculated Property
Cp,gas	869.86	J/mol×K	969.66	Joback Calculated Property
Cp,gas	878.73	J/mol×K	1002.64	Joback Calculated Property
Cp,gas	887.05	J/mol×K	1035.62	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzamide, 3-trifluoromethyl-2-fluoro-N-(3-trifluoromethyl-2-fluorobenzoyl)-N-isobutyl-.

Sources

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

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