Chemical Properties of 2,4,6-TRIFLUOROANILINE

2,4,6-TRIFLUOROANILINE

InChI
InChI=1S/C6H4F3N/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,10H2
InChI Key
BJSVKBGQDHUBHZ-UHFFFAOYSA-N
Formula
C6H4F3N
SMILES
Nc1c(F)cc(F)cc1F
Molecular Weight1
147.10
Other Names
  • 2-Amino-1,3,5-trifluorobenzene
  • Benzenamine, 2,4,6-trifluoro-
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Physical Properties

Property Value Unit Source
ω 0.4416 Relay (1.0) Calculated Property
ΔfusH° 18.61 kJ/mol Joback Calculated Property
ΔvapH° 51.16 kJ/mol Relay (1.0) Calculated Property
IE 8.59 eV Relay (1.0) Calculated Property
log10WS -1.93 Relay (1.0) Calculated Property
logPoct/wat 1.686 Crippen Calculated Property
McVol 86.930 ml/mol McGowan Calculated Property
Pc 3975.52 kPa Joback Calculated Property
Tboil 428.71 K Relay (1.0) Calculated Property
Tc 650.03 K Relay (1.0) Calculated Property
Tfus 308.15 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation 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.

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr [330.00; 330.20] K [2.90; 2.90] Show Hide
Tboilr 330.00 K 2.90 NIST
Tboilr 330.20 K 2.90 NIST

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [128.13; 258.41] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A3.11900e+01
Coefficient B4.13700e-01
Coefficient C-2.25280e-04
Coefficient D3.88000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 128.13 J/mol×K 273.00 Calculated Property
Cp,gas 151.07 J/mol×K 353.78 Calculated Property
Cp,gas 171.61 J/mol×K 434.56 Calculated Property
Cp,gas 189.87 J/mol×K 515.33 Calculated Property
Cp,gas 205.97 J/mol×K 596.11 Calculated Property
Cp,gas 220.03 J/mol×K 676.89 Calculated Property
Cp,gas 232.19 J/mol×K 757.67 Calculated Property
Cp,gas 242.55 J/mol×K 838.44 Calculated Property
Cp,gas 251.25 J/mol×K 919.22 Calculated Property
Cp,gas 258.41 J/mol×K 1000.00 Calculated Property

Similar Compounds

2,6-Difluoroaniline. Benzenamine, 2,3,4,6-tetrafluoro-. Benzenamine, 2,4-difluoro-. 2,3,6-Trifluoroaniline. 2-BROMO-4,6-DIFLUOROANILINE. 2,3,4-TRIFLUOROANILINE. 2,4,5-Trifluoroaniline. Benzenamine, 2,3,4,5-tetrafluoro-. Benzenamine, 2-fluoro-. 2,4,6-Trifluorophenyl isothiocyanate. 2,3-DIFLUOROANILINE. 3,5-Difluoroaniline. Benzenamine, 2,5-difluoro-. 2,3,5,6-Tetrafluoroaniline. 3,4-DIFLUOROANILINE.

Find more compounds similar to 2,4,6-TRIFLUOROANILINE.

Sources

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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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