1-methyl-4-propan-2-ylbenzene

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational574.05kJ mol-1
Total (Trans. + Rot. + Vib.)583.96kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational139.82J mol-1 K-1
Total (Trans. + Rot. + Vib.)173.08J mol-1 K-1
Entropy
PropertyValueUnit
Translational169.84J mol-1 K-1
Rotational123.92J mol-1 K-1
Vibrational122.58J mol-1 K-1
Total (Trans. + Rot. + Vib.)416.33J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-18.65kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 54.43 cm-1 View
  • 2 80.31 cm-1 View
  • 3 90.21 cm-1 View
  • 4 180.36 cm-1 View
  • 5 208.84 cm-1 View
  • 6 228.67 cm-1 View
  • 7 241.16 cm-1 View
  • 8 322.36 cm-1 View
  • 9 359.93 cm-1 View
  • 10 382.22 cm-1 View
  • 11 390.46 cm-1 View
  • 12 480.85 cm-1 View
  • 13 539.26 cm-1 View
  • 14 566.07 cm-1 View
  • 15 645.05 cm-1 View
  • 16 691.62 cm-1 View
  • 17 764.07 cm-1 View
  • 18 848.64 cm-1 View
  • 19 854.41 cm-1 View
  • 20 935.37 cm-1 View
  • 21 956.40 cm-1 View
  • 22 966.72 cm-1 View
  • 23 969.04 cm-1 View
  • 24 979.44 cm-1 View
  • 25 987.67 cm-1 View
  • 26 992.00 cm-1 View
  • 27 1032.25 cm-1 View
  • 28 1049.00 cm-1 View
  • 29 1072.12 cm-1 View
  • 30 1118.82 cm-1 View
  • 31 1135.73 cm-1 View
  • 32 1156.83 cm-1 View
  • 33 1166.59 cm-1 View
  • 34 1180.60 cm-1 View
  • 35 1229.87 cm-1 View
  • 36 1283.54 cm-1 View
  • 37 1300.55 cm-1 View
  • 38 1324.50 cm-1 View
  • 39 1373.98 cm-1 View
  • 40 1393.51 cm-1 View
  • 41 1398.33 cm-1 View
  • 42 1400.22 cm-1 View
  • 43 1404.93 cm-1 View
  • 44 1406.61 cm-1 View
  • 45 1408.32 cm-1 View
  • 46 1411.61 cm-1 View
  • 47 1414.42 cm-1 View
  • 48 1476.31 cm-1 View
  • 49 1538.70 cm-1 View
  • 50 1645.08 cm-1 View
  • 51 1778.83 cm-1 View
  • 52 1812.45 cm-1 View
  • 53 2866.99 cm-1 View
  • 54 3002.60 cm-1 View
  • 55 3046.28 cm-1 View
  • 56 3049.08 cm-1 View
  • 57 3058.83 cm-1 View
  • 58 3064.46 cm-1 View
  • 59 3069.98 cm-1 View
  • 60 3077.42 cm-1 View
  • 61 3080.46 cm-1 View
  • 62 3086.19 cm-1 View
  • 63 3088.77 cm-1 View
  • 64 3168.36 cm-1 View
  • 65 3170.63 cm-1 View
  • 66 3179.38 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy18.17kJ mol-1
Polar Solvation Energy-5.74kJ mol-1
Nonpolar Solvation Energy23.91kJ mol-1
Surface Area124.05Å2
Charge of Molecule0
Dipole0.10Debye