Chemical Properties of Benzamide, 3-fluoro-5-trifluoromethyl-N-(3-fluoro-5-trifluoromethylbenzoyl)-N-hept-2-yl-

InChI

InChI=1S/C23H21F8NO2/c1-3-4-5-6-13(2)32(20(33)14-9-15(22(26,27)28)11-17(25)10-14)21(34)18-12-16(24)7-8-19(18)23(29,30)31/h7-13H,3-6H2,1-2H3

InChI Key

MFMDAEILRADVGD-UHFFFAOYSA-N

Formula

C23H21F8NO2

SMILES

CCCCCC(C)N(C(=O)c1cc(F)cc(C(F)(F)F)c1)C(=O)c1cc(F)ccc1C(F)(F)F

Molecular Weight¹

495.41

• 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	0.9394		Relay (1.0) Calculated Property
ΔfG°	-1373.22	kJ/mol	Joback Calculated Property
ΔfH°gas	-1913.44	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	54.36	kJ/mol	Joback Calculated Property
ΔvapH°	99.96	kJ/mol	Relay (1.0) Calculated Property
IE	8.93	eV	Relay (1.0) Calculated Property
log10WS	-7.83		Relay (1.0) Calculated Property
logPoct/wat	7.254		Crippen Calculated Property
McVol	314.690	ml/mol	McGowan Calculated Property
Pc	1100.81	kPa	Joback Calculated Property
Inp	[1866.00; 1866.00]
Inp	1866.00		NIST
Inp	1866.00		NIST
Tboil	657.25	K	Relay (1.0) Calculated Property
Tc	904.11	K	Relay (1.0) Calculated Property
Tfus	364.81	K	Relay (1.0) Calculated Property
Vc	1.162	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[999.11; 1065.88]	J/mol×K	[906.36; 1111.05]
Cp,gas	999.11	J/mol×K	906.36	Joback Calculated Property
Cp,gas	1012.15	J/mol×K	940.47	Joback Calculated Property
Cp,gas	1024.29	J/mol×K	974.59	Joback Calculated Property
Cp,gas	1035.64	J/mol×K	1008.70	Joback Calculated Property
Cp,gas	1046.28	J/mol×K	1042.82	Joback Calculated Property
Cp,gas	1056.33	J/mol×K	1076.93	Joback Calculated Property
Cp,gas	1065.88	J/mol×K	1111.05	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzamide, 3-fluoro-5-trifluoromethyl-N-(3-fluoro-5-trifluoromethylbenzoyl)-N-hept-2-yl-.

Sources

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

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