3-methyl-1h-indole

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational424.22kJ mol-1
Total (Trans. + Rot. + Vib.)434.14kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational111.76J mol-1 K-1
Total (Trans. + Rot. + Vib.)145.02J mol-1 K-1
Entropy
PropertyValueUnit
Translational169.55J mol-1 K-1
Rotational121.84J mol-1 K-1
Vibrational81.17J mol-1 K-1
Total (Trans. + Rot. + Vib.)372.57J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation138.14kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 74.09 cm-1 View
  • 2 142.65 cm-1 View
  • 3 200.78 cm-1 View
  • 4 240.72 cm-1 View
  • 5 304.51 cm-1 View
  • 6 382.64 cm-1 View
  • 7 394.11 cm-1 View
  • 8 483.76 cm-1 View
  • 9 496.73 cm-1 View
  • 10 557.62 cm-1 View
  • 11 562.35 cm-1 View
  • 12 566.17 cm-1 View
  • 13 724.91 cm-1 View
  • 14 745.15 cm-1 View
  • 15 772.72 cm-1 View
  • 16 840.70 cm-1 View
  • 17 843.77 cm-1 View
  • 18 878.35 cm-1 View
  • 19 899.55 cm-1 View
  • 20 953.54 cm-1 View
  • 21 983.39 cm-1 View
  • 22 994.94 cm-1 View
  • 23 1004.95 cm-1 View
  • 24 1072.11 cm-1 View
  • 25 1082.67 cm-1 View
  • 26 1113.51 cm-1 View
  • 27 1151.44 cm-1 View
  • 28 1162.09 cm-1 View
  • 29 1192.53 cm-1 View
  • 30 1249.77 cm-1 View
  • 31 1336.16 cm-1 View
  • 32 1356.25 cm-1 View
  • 33 1387.71 cm-1 View
  • 34 1390.91 cm-1 View
  • 35 1396.23 cm-1 View
  • 36 1416.15 cm-1 View
  • 37 1489.40 cm-1 View
  • 38 1527.67 cm-1 View
  • 39 1641.71 cm-1 View
  • 40 1759.20 cm-1 View
  • 41 1787.43 cm-1 View
  • 42 1816.73 cm-1 View
  • 43 3054.53 cm-1 View
  • 44 3062.86 cm-1 View
  • 45 3066.23 cm-1 View
  • 46 3074.86 cm-1 View
  • 47 3078.35 cm-1 View
  • 48 3082.16 cm-1 View
  • 49 3107.96 cm-1 View
  • 50 3166.14 cm-1 View
  • 51 3452.89 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy8.25kJ mol-1
Polar Solvation Energy-13.57kJ mol-1
Nonpolar Solvation Energy21.82kJ mol-1
Surface Area120.76Å2
Charge of Molecule0
Dipole2.12Debye