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

InChI

InChI=1S/C25H25F8NO2/c1-2-3-4-5-6-7-8-15-34(22(35)16-11-9-13-18(20(16)26)24(28,29)30)23(36)17-12-10-14-19(21(17)27)25(31,32)33/h9-14H,2-8,15H2,1H3

InChI Key

OVDXHMWSDSSIMD-UHFFFAOYSA-N

Formula

C25H25F8NO2

SMILES

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

Molecular Weight¹

523.46

• 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	1.0784		Relay (1.0) Calculated Property
ΔfG°	-1353.94	kJ/mol	Joback Calculated Property
ΔfH°gas	-1912.51	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	63.06	kJ/mol	Joback Calculated Property
ΔvapH°	106.92	kJ/mol	Relay (1.0) Calculated Property
IE	9.06	eV	Relay (1.0) Calculated Property
log10WS	-8.60		Relay (1.0) Calculated Property
logPoct/wat	8.036		Crippen Calculated Property
McVol	342.870	ml/mol	McGowan Calculated Property
Pc	968.07	kPa	Joback Calculated Property
Inp	[2431.00; 2431.00]
Inp	2431.00		NIST
Inp	2431.00		NIST
Tboil	692.31	K	Relay (1.0) Calculated Property
Tc	921.62	K	Relay (1.0) Calculated Property
Tfus	370.79	K	Relay (1.0) Calculated Property
Vc	1.285	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1116.95; 1190.06]	J/mol×K	[952.56; 1166.44]
Cp,gas	1116.95	J/mol×K	952.56	Joback Calculated Property
Cp,gas	1131.01	J/mol×K	988.21	Joback Calculated Property
Cp,gas	1144.16	J/mol×K	1023.85	Joback Calculated Property
Cp,gas	1156.52	J/mol×K	1059.50	Joback Calculated Property
Cp,gas	1168.21	J/mol×K	1095.15	Joback Calculated Property
Cp,gas	1179.35	J/mol×K	1130.79	Joback Calculated Property
Cp,gas	1190.06	J/mol×K	1166.44	Joback Calculated Property

Similar Compounds

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

Sources

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

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