Chemical Properties of Benzamide, 3-fluoro-5-trifluoromethyl-N-(3-fluoro-5-trifluoromethylbenzoyl)-N-butyl-

InChI

InChI=1S/C20H15F8NO2/c1-2-3-6-29(17(30)11-7-12(19(23,24)25)9-14(22)8-11)18(31)15-10-13(21)4-5-16(15)20(26,27)28/h4-5,7-10H,2-3,6H2,1H3

InChI Key

QGKKQCLENKUIOG-UHFFFAOYSA-N

Formula

C20H15F8NO2

SMILES

CCCCN(C(=O)c1cc(F)cc(C(F)(F)F)c1)C(=O)c1cc(F)ccc1C(F)(F)F

Molecular Weight¹

453.33

• 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	0.8839		Relay (1.0) Calculated Property
ΔfG°	-1396.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-1844.25	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	50.11	kJ/mol	Joback Calculated Property
ΔvapH°	90.80	kJ/mol	Relay (1.0) Calculated Property
IE	9.21	eV	Relay (1.0) Calculated Property
log10WS	-7.27		Relay (1.0) Calculated Property
logPoct/wat	6.085		Crippen Calculated Property
McVol	272.420	ml/mol	McGowan Calculated Property
Pc	1337.84	kPa	Joback Calculated Property
Inp	[1725.00; 1725.00]
Inp	1725.00		NIST
Inp	1725.00		NIST
Tboil	640.68	K	Relay (1.0) Calculated Property
Tc	885.07	K	Relay (1.0) Calculated Property
Tfus	355.88	K	Relay (1.0) Calculated Property
Vc	1.019	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[826.69; 886.33]	J/mol×K	[838.16; 1034.58]
Cp,gas	826.69	J/mol×K	838.16	Joback Calculated Property
Cp,gas	838.50	J/mol×K	870.90	Joback Calculated Property
Cp,gas	849.45	J/mol×K	903.63	Joback Calculated Property
Cp,gas	859.63	J/mol×K	936.37	Joback Calculated Property
Cp,gas	869.12	J/mol×K	969.10	Joback Calculated Property
Cp,gas	877.99	J/mol×K	1001.84	Joback Calculated Property
Cp,gas	886.33	J/mol×K	1034.58	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzamide, 3-fluoro-5-trifluoromethyl-N-(3-fluoro-5-trifluoromethylbenzoyl)-N-butyl-.

Sources

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

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