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

InChI

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

InChI Key

ZHVXUUHKRVYEHB-UHFFFAOYSA-N

Formula

C21H17F8NO2

SMILES

CC(C)CCN(C(=O)c1cc(F)cc(C(F)(F)F)c1)C(=O)c1cc(F)ccc1C(F)(F)F

Molecular Weight¹

467.35

• 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).
• 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
ΔfG°	-1390.06	kJ/mol	Joback Calculated Property
ΔfH°gas	-1798.88	kJ/mol	Joback Calculated Property
ΔfusH°	49.18	kJ/mol	Joback Calculated Property
ΔvapH°	75.56	kJ/mol	Joback Calculated Property
log10WS	-7.89		Crippen 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	[1765.00; 1765.00]
Inp	1765.00		NIST
Inp	1765.00		NIST
Tboil	860.60	K	Joback Calculated Property
Tc	1059.97	K	Joback Calculated Property
Tfus	556.24	K	Joback Calculated Property
Vc	1.141	m3/kmol	Joback 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, 3-fluoro-5-trifluoromethyl-N-(3-fluoro-5-trifluoromethylbenzoyl)-N-3-methylbutyl-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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