Chemical Properties of Benzamide, 2-trifluoromethyl-5-fluoro-N-(2-trifluoromethyl-5-fluorobenzoyl)-N-3-methylbutyl-

InChI

InChI=1S/C21H17F8NO2/c1-11(2)7-8-30(18(31)14-9-12(22)3-5-16(14)20(24,25)26)19(32)15-10-13(23)4-6-17(15)21(27,28)29/h3-6,9-11H,7-8H2,1-2H3

InChI Key

OZWUQHYKPNMUEF-UHFFFAOYSA-N

Formula

C21H17F8NO2

SMILES

CC(C)CCN(C(=O)c1cc(F)ccc1C(F)(F)F)C(=O)c1cc(F)ccc1C(F)(F)F

Molecular Weight¹

467.35

• 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	0.8854		Relay (1.0) Calculated Property
ΔfG°	-1390.06	kJ/mol	Joback Calculated Property
ΔfH°gas	-1875.27	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	49.18	kJ/mol	Joback Calculated Property
ΔvapH°	92.77	kJ/mol	Relay (1.0) Calculated Property
IE	9.18	eV	Relay (1.0) Calculated Property
log10WS	-7.26		Relay (1.0) Calculated Property
logPoct/wat	6.331		Crippen Calculated Property
McVol	286.510	ml/mol	McGowan Calculated Property
Pc	1255.70	kPa	Joback Calculated Property
Inp	[1946.00; 1946.00]
Inp	1946.00		NIST
Inp	1946.00		NIST
Tboil	651.13	K	Relay (1.0) Calculated Property
Tc	887.06	K	Relay (1.0) Calculated Property
Tfus	381.84	K	Relay (1.0) Calculated Property
Vc	1.063	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[883.75; 945.73]	J/mol×K	[860.60; 1059.97]
Cp,gas	883.75	J/mol×K	860.60	Joback Calculated Property
Cp,gas	895.99	J/mol×K	893.83	Joback Calculated Property
Cp,gas	907.36	J/mol×K	927.06	Joback Calculated Property
Cp,gas	917.92	J/mol×K	960.29	Joback Calculated Property
Cp,gas	927.78	J/mol×K	993.52	Joback Calculated Property
Cp,gas	937.02	J/mol×K	1026.75	Joback Calculated Property
Cp,gas	945.73	J/mol×K	1059.97	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzamide, 2-trifluoromethyl-5-fluoro-N-(2-trifluoromethyl-5-fluorobenzoyl)-N-3-methylbutyl-.

Sources

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

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