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
Vibrational574.19kJ mol-1
Total (Trans. + Rot. + Vib.)584.11kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational139.74J mol-1 K-1
Total (Trans. + Rot. + Vib.)173.00J mol-1 K-1
Entropy
PropertyValueUnit
Translational169.84J mol-1 K-1
Rotational123.92J mol-1 K-1
Vibrational123.72J mol-1 K-1
Total (Trans. + Rot. + Vib.)417.48J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-18.65kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 52.71 cm-1 View
  • 2 70.92 cm-1 View
  • 3 89.67 cm-1 View
  • 4 180.34 cm-1 View
  • 5 207.50 cm-1 View
  • 6 228.32 cm-1 View
  • 7 245.89 cm-1 View
  • 8 325.65 cm-1 View
  • 9 360.56 cm-1 View
  • 10 382.65 cm-1 View
  • 11 391.26 cm-1 View
  • 12 480.01 cm-1 View
  • 13 536.38 cm-1 View
  • 14 569.92 cm-1 View
  • 15 645.27 cm-1 View
  • 16 690.75 cm-1 View
  • 17 764.26 cm-1 View
  • 18 847.80 cm-1 View
  • 19 855.35 cm-1 View
  • 20 934.83 cm-1 View
  • 21 956.47 cm-1 View
  • 22 965.42 cm-1 View
  • 23 970.90 cm-1 View
  • 24 980.20 cm-1 View
  • 25 987.82 cm-1 View
  • 26 992.08 cm-1 View
  • 27 1031.75 cm-1 View
  • 28 1049.89 cm-1 View
  • 29 1073.02 cm-1 View
  • 30 1119.16 cm-1 View
  • 31 1137.20 cm-1 View
  • 32 1158.33 cm-1 View
  • 33 1168.98 cm-1 View
  • 34 1180.17 cm-1 View
  • 35 1233.49 cm-1 View
  • 36 1283.50 cm-1 View
  • 37 1301.63 cm-1 View
  • 38 1324.69 cm-1 View
  • 39 1374.37 cm-1 View
  • 40 1393.43 cm-1 View
  • 41 1398.29 cm-1 View
  • 42 1400.34 cm-1 View
  • 43 1405.17 cm-1 View
  • 44 1406.94 cm-1 View
  • 45 1409.02 cm-1 View
  • 46 1411.73 cm-1 View
  • 47 1417.63 cm-1 View
  • 48 1476.64 cm-1 View
  • 49 1538.72 cm-1 View
  • 50 1645.16 cm-1 View
  • 51 1778.74 cm-1 View
  • 52 1812.49 cm-1 View
  • 53 2866.89 cm-1 View
  • 54 3003.17 cm-1 View
  • 55 3047.24 cm-1 View
  • 56 3048.56 cm-1 View
  • 57 3060.03 cm-1 View
  • 58 3063.90 cm-1 View
  • 59 3070.64 cm-1 View
  • 60 3078.19 cm-1 View
  • 61 3080.72 cm-1 View
  • 62 3085.67 cm-1 View
  • 63 3088.72 cm-1 View
  • 64 3169.16 cm-1 View
  • 65 3171.66 cm-1 View
  • 66 3179.14 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy15.81kJ mol-1
Polar Solvation Energy-5.90kJ mol-1
Nonpolar Solvation Energy21.69kJ mol-1
Surface Area131.55Å2
Charge of Molecule0
Dipole0.07Debye