Chemical Properties of Benzamide, 2,3,4-trifluoro-N-butyl-N-methyl-

InChI

InChI=1S/C12H14F3NO/c1-3-4-7-16(2)12(17)8-5-6-9(13)11(15)10(8)14/h5-6H,3-4,7H2,1-2H3

InChI Key

YSLZNDNPJPBTBX-UHFFFAOYSA-N

Formula

C12H14F3NO

SMILES

CCCCN(C)C(=O)c1ccc(F)c(F)c1F

Molecular Weight¹

245.24

• 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°	-468.89	kJ/mol	Joback Calculated Property
ΔfH°gas	-722.27	kJ/mol	Joback Calculated Property
ΔfusH°	33.57	kJ/mol	Joback Calculated Property
ΔvapH°	52.91	kJ/mol	Joback Calculated Property
log10WS	-3.87		Crippen Calculated Property
logPoct/wat	2.976		Crippen Calculated Property
McVol	173.040	ml/mol	McGowan Calculated Property
Pc	2147.32	kPa	Joback Calculated Property
Inp	[1736.00; 1736.00]
Inp	1736.00		NIST
Inp	1736.00		NIST
Tboil	579.70	K	Joback Calculated Property
Tc	761.56	K	Joback Calculated Property
Tfus	373.15	K	Joback Calculated Property
Vc	0.677	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[428.38; 498.07]	J/mol×K	[579.70; 761.56]
Cp,gas	428.38	J/mol×K	579.70	Joback Calculated Property
Cp,gas	441.62	J/mol×K	610.01	Joback Calculated Property
Cp,gas	454.18	J/mol×K	640.32	Joback Calculated Property
Cp,gas	466.09	J/mol×K	670.63	Joback Calculated Property
Cp,gas	477.36	J/mol×K	700.94	Joback Calculated Property
Cp,gas	488.01	J/mol×K	731.25	Joback Calculated Property
Cp,gas	498.07	J/mol×K	761.56	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzamide, 2,3,4-trifluoro-N-butyl-N-methyl-.

Sources

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

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