Chemical Properties of Benzamide, N-(2-iodo-4-methylphenyl)-3-trifluoromethyl-

InChI

InChI=1S/C15H11F3INO/c1-9-5-6-13(12(19)7-9)20-14(21)10-3-2-4-11(8-10)15(16,17)18/h2-8H,1H3,(H,20,21)

InChI Key

GJCZZIMCPGAIDE-UHFFFAOYSA-N

Formula

C15H11F3INO

SMILES

Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)c(I)c1

Molecular Weight¹

405.15

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[274.15; 604.78]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-2.40200e+01
Coefficient B			1.34092e+00
Coefficient C			-9.85780e-04
Coefficient D			2.73660e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	274.15	J/mol×K	273.00	Calculated Property
Cp,gas	339.11	J/mol×K	353.78	Calculated Property
Cp,gas	394.99	J/mol×K	434.56	Calculated Property
Cp,gas	442.66	J/mol×K	515.33	Calculated Property
Cp,gas	482.99	J/mol×K	596.11	Calculated Property
Cp,gas	516.84	J/mol×K	676.89	Calculated Property
Cp,gas	545.08	J/mol×K	757.67	Calculated Property
Cp,gas	568.57	J/mol×K	838.44	Calculated Property
Cp,gas	588.19	J/mol×K	919.22	Calculated Property
Cp,gas	604.78	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzamide, N-(2-iodo-4-methylphenyl)-3-trifluoromethyl-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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