Chemical Properties of Benzamide, 3-fluoro-4-trifluoromethyl-N-methyl-

InChI

InChI=1S/C9H7F4NO/c1-14-8(15)5-2-3-6(7(10)4-5)9(11,12)13/h2-4H,1H3,(H,14,15)

InChI Key

VRWBSDOXHXVAFJ-UHFFFAOYSA-N

Formula

C9H7F4NO

SMILES

CNC(=O)c1ccc(C(F)(F)F)c(F)c1

Molecular Weight¹

221.15

• 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°	-697.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-867.80	kJ/mol	Joback Calculated Property
ΔfusH°	23.93	kJ/mol	Joback Calculated Property
ΔvapH°	47.85	kJ/mol	Joback Calculated Property
log10WS	-3.25		Crippen Calculated Property
logPoct/wat	2.204		Crippen Calculated Property
McVol	132.540	ml/mol	McGowan Calculated Property
Pc	2871.95	kPa	Joback Calculated Property
Inp	[1415.00; 1415.00]
Inp	1415.00		NIST
Inp	1415.00		NIST
Tboil	539.85	K	Joback Calculated Property
Tc	732.38	K	Joback Calculated Property
Tfus	350.02	K	Joback Calculated Property
Vc	0.533	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[314.31; 369.20]	J/mol×K	[539.85; 732.38]
Cp,gas	314.31	J/mol×K	539.85	Joback Calculated Property
Cp,gas	325.12	J/mol×K	571.94	Joback Calculated Property
Cp,gas	335.21	J/mol×K	604.03	Joback Calculated Property
Cp,gas	344.64	J/mol×K	636.12	Joback Calculated Property
Cp,gas	353.42	J/mol×K	668.21	Joback Calculated Property
Cp,gas	361.59	J/mol×K	700.30	Joback Calculated Property
Cp,gas	369.20	J/mol×K	732.38	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzamide, 3-fluoro-4-trifluoromethyl-N-methyl-.

Sources

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

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