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

InChI

InChI=1S/C21H17F8NO2/c1-2-3-4-7-30(18(31)12-8-13(20(24,25)26)10-15(23)9-12)19(32)16-11-14(22)5-6-17(16)21(27,28)29/h5-6,8-11H,2-4,7H2,1H3

InChI Key

SBOGREQKNKVMRU-UHFFFAOYSA-N

Formula

C21H17F8NO2

SMILES

CCCCCN(C(=O)c1cc(F)cc(C(F)(F)F)c1)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	0.9244		Relay (1.0) Calculated Property
ΔfG°	-1387.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-1862.61	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	52.70	kJ/mol	Joback Calculated Property
ΔvapH°	92.87	kJ/mol	Relay (1.0) Calculated Property
IE	9.19	eV	Relay (1.0) Calculated Property
log10WS	-7.63		Relay (1.0) Calculated Property
logPoct/wat	6.475		Crippen Calculated Property
McVol	286.510	ml/mol	McGowan Calculated Property
Pc	1248.61	kPa	Joback Calculated Property
Inp	[1805.00; 1805.00]
Inp	1805.00		NIST
Inp	1805.00		NIST
Tboil	650.41	K	Relay (1.0) Calculated Property
Tc	894.90	K	Relay (1.0) Calculated Property
Tfus	355.36	K	Relay (1.0) Calculated Property
Vc	1.071	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[883.19; 945.14]	J/mol×K	[861.04; 1059.25]
Cp,gas	883.19	J/mol×K	861.04	Joback Calculated Property
Cp,gas	895.38	J/mol×K	894.08	Joback Calculated Property
Cp,gas	906.72	J/mol×K	927.11	Joback Calculated Property
Cp,gas	917.27	J/mol×K	960.15	Joback Calculated Property
Cp,gas	927.14	J/mol×K	993.18	Joback Calculated Property
Cp,gas	936.40	J/mol×K	1026.22	Joback Calculated Property
Cp,gas	945.14	J/mol×K	1059.25	Joback Calculated Property

Similar Compounds

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

Sources

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

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