Chemical Properties of Benzamide, 4-(trifluoromethyl)-N-butyl-N-methyl-

InChI

InChI=1S/C13H16F3NO/c1-3-4-9-17(2)12(18)10-5-7-11(8-6-10)13(14,15)16/h5-8H,3-4,9H2,1-2H3

InChI Key

FPFNPECANBTGOU-UHFFFAOYSA-N

Formula

C13H16F3NO

SMILES

CCCCN(C)C(=O)c1ccc(C(F)(F)F)cc1

Molecular Weight¹

259.27

• 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	0.6131		Relay (1.0) Calculated Property
ΔfG°	-438.37	kJ/mol	Joback Calculated Property
ΔfH°gas	-820.52	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	29.52	kJ/mol	Joback Calculated Property
ΔvapH°	68.81	kJ/mol	Relay (1.0) Calculated Property
IE	9.21	eV	Relay (1.0) Calculated Property
log10WS	-3.48		Relay (1.0) Calculated Property
logPoct/wat	3.578		Crippen Calculated Property
McVol	187.130	ml/mol	McGowan Calculated Property
Pc	2056.76	kPa	Joback Calculated Property
Inp	[1760.00; 1760.00]
Inp	1760.00		NIST
Inp	1760.00		NIST
Tboil	550.49	K	Relay (1.0) Calculated Property
Tc	732.33	K	Relay (1.0) Calculated Property
Tfus	328.66	K	Relay (1.0) Calculated Property
Vc	0.692	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[481.18; 558.17]	J/mol×K	[589.39; 776.96]
Cp,gas	481.18	J/mol×K	589.39	Joback Calculated Property
Cp,gas	496.18	J/mol×K	620.65	Joback Calculated Property
Cp,gas	510.25	J/mol×K	651.91	Joback Calculated Property
Cp,gas	523.44	J/mol×K	683.18	Joback Calculated Property
Cp,gas	535.79	J/mol×K	714.44	Joback Calculated Property
Cp,gas	547.35	J/mol×K	745.70	Joback Calculated Property
Cp,gas	558.17	J/mol×K	776.96	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzamide, 4-(trifluoromethyl)-N-butyl-N-methyl-.

Sources

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

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