Chemical Properties of p-ACETAMIDOBENZOTRIFLUORIDE

InChI

InChI=1S/C9H8F3NO/c1-6(14)13-8-4-2-7(3-5-8)9(10,11)12/h2-5H,1H3,(H,13,14)

InChI Key

DFDHFECLWHHELH-UHFFFAOYSA-N

Formula

C9H8F3NO

SMILES

CC(=O)Nc1ccc(C(F)(F)F)cc1

Molecular Weight¹

203.16

Other Names

• 4-Trifluoromethylacetanilide
• Acetamide, N-[4-(trifluoromethyl)phenyl]-
• N-[4-(trifluoromethyl)phenyl]acetamide
• P-trifluoromethylacetanilide
• p-Acetylaminobenzotrifluoride

• 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).
• 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	[181.94; 410.67]	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			-2.49500e+01
Coefficient B			9.29820e-01
Coefficient C			-6.80860e-04
Coefficient D			1.86660e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	181.94	J/mol×K	273.00	Calculated Property
Cp,gas	227.05	J/mol×K	353.78	Calculated Property
Cp,gas	265.85	J/mol×K	434.56	Calculated Property
Cp,gas	298.95	J/mol×K	515.33	Calculated Property
Cp,gas	326.92	J/mol×K	596.11	Calculated Property
Cp,gas	350.37	J/mol×K	676.89	Calculated Property
Cp,gas	369.88	J/mol×K	757.67	Calculated Property
Cp,gas	386.04	J/mol×K	838.44	Calculated Property
Cp,gas	399.44	J/mol×K	919.22	Calculated Property
Cp,gas	410.67	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to p-ACETAMIDOBENZOTRIFLUORIDE.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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