3-(difluoromethyl)aniline

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational356.74kJ mol-1
Total (Trans. + Rot. + Vib.)366.65kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational110.66J mol-1 K-1
Total (Trans. + Rot. + Vib.)143.92J mol-1 K-1
Entropy
PropertyValueUnit
Translational170.65J mol-1 K-1
Rotational124.50J mol-1 K-1
Vibrational96.37J mol-1 K-1
Total (Trans. + Rot. + Vib.)391.52J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-326.42kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 22.30 cm-1 View
  • 2 139.10 cm-1 View
  • 3 189.07 cm-1 View
  • 4 204.07 cm-1 View
  • 5 250.56 cm-1 View
  • 6 334.40 cm-1 View
  • 7 391.61 cm-1 View
  • 8 405.49 cm-1 View
  • 9 480.50 cm-1 View
  • 10 523.57 cm-1 View
  • 11 545.93 cm-1 View
  • 12 576.24 cm-1 View
  • 13 623.26 cm-1 View
  • 14 699.92 cm-1 View
  • 15 781.64 cm-1 View
  • 16 823.04 cm-1 View
  • 17 911.25 cm-1 View
  • 18 934.45 cm-1 View
  • 19 980.89 cm-1 View
  • 20 1001.77 cm-1 View
  • 21 1026.19 cm-1 View
  • 22 1032.68 cm-1 View
  • 23 1073.90 cm-1 View
  • 24 1094.44 cm-1 View
  • 25 1106.26 cm-1 View
  • 26 1138.17 cm-1 View
  • 27 1175.85 cm-1 View
  • 28 1180.71 cm-1 View
  • 29 1253.75 cm-1 View
  • 30 1341.68 cm-1 View
  • 31 1398.16 cm-1 View
  • 32 1482.24 cm-1 View
  • 33 1521.35 cm-1 View
  • 34 1581.20 cm-1 View
  • 35 1599.23 cm-1 View
  • 36 1677.38 cm-1 View
  • 37 1783.61 cm-1 View
  • 38 1796.23 cm-1 View
  • 39 2833.28 cm-1 View
  • 40 3042.78 cm-1 View
  • 41 3049.48 cm-1 View
  • 42 3056.96 cm-1 View
  • 43 3071.37 cm-1 View
  • 44 3413.26 cm-1 View
  • 45 3532.38 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy2.35kJ mol-1
Polar Solvation Energy-19.48kJ mol-1
Nonpolar Solvation Energy21.82kJ mol-1
Surface Area121.39Å2
Charge of Molecule0
Dipole2.58Debye