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

InChI

InChI=1S/C17H9F8NO2/c1-26(14(27)8-4-2-6-10(12(8)18)16(20,21)22)15(28)9-5-3-7-11(13(9)19)17(23,24)25/h2-7H,1H3

InChI Key

URCIRGDGEDZDIH-UHFFFAOYSA-N

Formula

C17H9F8NO2

SMILES

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

Molecular Weight¹

411.25

• 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	0.7588		Relay (1.0) Calculated Property
ΔfG°	-1421.30	kJ/mol	Joback Calculated Property
ΔfH°gas	-1779.87	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	42.34	kJ/mol	Joback Calculated Property
ΔvapH°	88.55	kJ/mol	Relay (1.0) Calculated Property
IE	9.48	eV	Relay (1.0) Calculated Property
log10WS	-5.98		Relay (1.0) Calculated Property
logPoct/wat	4.915		Crippen Calculated Property
McVol	230.150	ml/mol	McGowan Calculated Property
Pc	1671.43	kPa	Joback Calculated Property
Inp	[1759.00; 1759.00]
Inp	1759.00		NIST
Inp	1759.00		NIST
Tboil	612.60	K	Relay (1.0) Calculated Property
Tc	855.50	K	Relay (1.0) Calculated Property
Tfus	395.37	K	Relay (1.0) Calculated Property
Vc	0.870	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[662.57; 715.49]	J/mol×K	[769.52; 964.70]
Cp,gas	662.57	J/mol×K	769.52	Joback Calculated Property
Cp,gas	673.28	J/mol×K	802.05	Joback Calculated Property
Cp,gas	683.13	J/mol×K	834.58	Joback Calculated Property
Cp,gas	692.21	J/mol×K	867.11	Joback Calculated Property
Cp,gas	700.58	J/mol×K	899.64	Joback Calculated Property
Cp,gas	708.32	J/mol×K	932.17	Joback Calculated Property
Cp,gas	715.49	J/mol×K	964.70	Joback Calculated Property

Similar Compounds

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

Sources

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

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