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

InChI

InChI=1S/C22H19F8NO2/c1-2-3-4-5-8-31(19(32)13-9-14(21(25,26)27)11-16(24)10-13)20(33)17-12-15(23)6-7-18(17)22(28,29)30/h6-7,9-12H,2-5,8H2,1H3

InChI Key

XJSBHFOVSOXVAG-UHFFFAOYSA-N

Formula

C22H19F8NO2

SMILES

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

Molecular Weight¹

481.38

• 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	0.9652		Relay (1.0) Calculated Property
ΔfG°	-1379.20	kJ/mol	Joback Calculated Property
ΔfH°gas	-1880.77	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	55.29	kJ/mol	Joback Calculated Property
ΔvapH°	96.49	kJ/mol	Relay (1.0) Calculated Property
IE	9.15	eV	Relay (1.0) Calculated Property
log10WS	-7.95		Relay (1.0) Calculated Property
logPoct/wat	6.865		Crippen Calculated Property
McVol	300.600	ml/mol	McGowan Calculated Property
Pc	1168.02	kPa	Joback Calculated Property
Inp	[1897.00; 1897.00]
Inp	1897.00		NIST
Inp	1897.00		NIST
Tboil	660.20	K	Relay (1.0) Calculated Property
Tc	903.33	K	Relay (1.0) Calculated Property
Tfus	354.97	K	Relay (1.0) Calculated Property
Vc	1.125	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[940.51; 1004.90]	J/mol×K	[883.92; 1084.71]
Cp,gas	940.51	J/mol×K	883.92	Joback Calculated Property
Cp,gas	953.11	J/mol×K	917.39	Joback Calculated Property
Cp,gas	964.84	J/mol×K	950.85	Joback Calculated Property
Cp,gas	975.79	J/mol×K	984.32	Joback Calculated Property
Cp,gas	986.06	J/mol×K	1017.78	Joback Calculated Property
Cp,gas	995.73	J/mol×K	1051.25	Joback Calculated Property
Cp,gas	1004.90	J/mol×K	1084.71	Joback Calculated Property

Similar Compounds

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

Sources

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

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