2-benzofuran

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational314.89kJ mol-1
Total (Trans. + Rot. + Vib.)324.80kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational80.72J mol-1 K-1
Total (Trans. + Rot. + Vib.)113.98J mol-1 K-1
Entropy
PropertyValueUnit
Translational168.25J mol-1 K-1
Rotational117.98J mol-1 K-1
Vibrational44.37J mol-1 K-1
Total (Trans. + Rot. + Vib.)330.60J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation86.94kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 185.99 cm-1 View
  • 2 219.52 cm-1 View
  • 3 411.84 cm-1 View
  • 4 417.92 cm-1 View
  • 5 482.57 cm-1 View
  • 6 517.87 cm-1 View
  • 7 551.18 cm-1 View
  • 8 611.08 cm-1 View
  • 9 684.49 cm-1 View
  • 10 758.47 cm-1 View
  • 11 800.75 cm-1 View
  • 12 821.60 cm-1 View
  • 13 826.18 cm-1 View
  • 14 880.16 cm-1 View
  • 15 888.52 cm-1 View
  • 16 922.65 cm-1 View
  • 17 965.31 cm-1 View
  • 18 1002.78 cm-1 View
  • 19 1031.34 cm-1 View
  • 20 1044.41 cm-1 View
  • 21 1089.78 cm-1 View
  • 22 1117.81 cm-1 View
  • 23 1149.87 cm-1 View
  • 24 1188.99 cm-1 View
  • 25 1305.54 cm-1 View
  • 26 1354.77 cm-1 View
  • 27 1395.85 cm-1 View
  • 28 1426.74 cm-1 View
  • 29 1533.60 cm-1 View
  • 30 1667.10 cm-1 View
  • 31 1741.15 cm-1 View
  • 32 1773.54 cm-1 View
  • 33 1856.41 cm-1 View
  • 34 3053.66 cm-1 View
  • 35 3061.49 cm-1 View
  • 36 3077.17 cm-1 View
  • 37 3082.06 cm-1 View
  • 38 3129.56 cm-1 View
  • 39 3137.17 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-4.55kJ mol-1
Polar Solvation Energy-10.04kJ mol-1
Nonpolar Solvation Energy5.48kJ mol-1
Surface Area115.15Å2
Charge of Molecule0
Dipole0.19Debye