Aniline

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational308.02kJ mol-1
Total (Trans. + Rot. + Vib.)317.93kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational67.94J mol-1 K-1
Total (Trans. + Rot. + Vib.)101.20J mol-1 K-1
Entropy
PropertyValueUnit
Translational165.28J mol-1 K-1
Rotational112.63J mol-1 K-1
Vibrational36.96J mol-1 K-1
Total (Trans. + Rot. + Vib.)314.88J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation107.70kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 23.38 cm-1 View
  • 2 194.92 cm-1 View
  • 3 345.26 cm-1 View
  • 4 379.52 cm-1 View
  • 5 408.59 cm-1 View
  • 6 470.35 cm-1 View
  • 7 536.86 cm-1 View
  • 8 629.10 cm-1 View
  • 9 634.27 cm-1 View
  • 10 768.94 cm-1 View
  • 11 830.33 cm-1 View
  • 12 877.20 cm-1 View
  • 13 904.15 cm-1 View
  • 14 965.19 cm-1 View
  • 15 1001.69 cm-1 View
  • 16 1027.49 cm-1 View
  • 17 1049.19 cm-1 View
  • 18 1113.69 cm-1 View
  • 19 1130.68 cm-1 View
  • 20 1156.96 cm-1 View
  • 21 1169.19 cm-1 View
  • 22 1238.16 cm-1 View
  • 23 1338.75 cm-1 View
  • 24 1391.73 cm-1 View
  • 25 1554.16 cm-1 View
  • 26 1572.72 cm-1 View
  • 27 1627.11 cm-1 View
  • 28 1769.48 cm-1 View
  • 29 1787.09 cm-1 View
  • 30 3053.24 cm-1 View
  • 31 3053.59 cm-1 View
  • 32 3064.56 cm-1 View
  • 33 3067.57 cm-1 View
  • 34 3082.42 cm-1 View
  • 35 3500.92 cm-1 View
  • 36 3554.74 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-3.82kJ mol-1
Polar Solvation Energy-10.76kJ mol-1
Nonpolar Solvation Energy6.90kJ mol-1
Surface Area102.18Å2
Charge of Molecule0
Dipole2.18Debye