Hexane

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational503.62kJ mol-1
Total (Trans. + Rot. + Vib.)513.53kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational98.19J mol-1 K-1
Total (Trans. + Rot. + Vib.)131.45J mol-1 K-1
Entropy
PropertyValueUnit
Translational164.31J mol-1 K-1
Rotational113.93J mol-1 K-1
Vibrational94.41J mol-1 K-1
Total (Trans. + Rot. + Vib.)372.65J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-166.79kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 65.82 cm-1 View
  • 2 91.80 cm-1 View
  • 3 119.50 cm-1 View
  • 4 160.48 cm-1 View
  • 5 195.48 cm-1 View
  • 6 201.20 cm-1 View
  • 7 333.72 cm-1 View
  • 8 401.06 cm-1 View
  • 9 506.10 cm-1 View
  • 10 760.41 cm-1 View
  • 11 793.74 cm-1 View
  • 12 857.57 cm-1 View
  • 13 932.79 cm-1 View
  • 14 952.86 cm-1 View
  • 15 964.19 cm-1 View
  • 16 987.88 cm-1 View
  • 17 1098.77 cm-1 View
  • 18 1117.00 cm-1 View
  • 19 1117.47 cm-1 View
  • 20 1130.61 cm-1 View
  • 21 1132.31 cm-1 View
  • 22 1148.48 cm-1 View
  • 23 1150.86 cm-1 View
  • 24 1160.65 cm-1 View
  • 25 1163.72 cm-1 View
  • 26 1164.07 cm-1 View
  • 27 1220.53 cm-1 View
  • 28 1284.74 cm-1 View
  • 29 1354.85 cm-1 View
  • 30 1383.50 cm-1 View
  • 31 1385.72 cm-1 View
  • 32 1408.81 cm-1 View
  • 33 1408.85 cm-1 View
  • 34 1410.22 cm-1 View
  • 35 1411.89 cm-1 View
  • 36 1412.45 cm-1 View
  • 37 1412.80 cm-1 View
  • 38 1424.87 cm-1 View
  • 39 1431.02 cm-1 View
  • 40 1439.49 cm-1 View
  • 41 2938.90 cm-1 View
  • 42 2948.54 cm-1 View
  • 43 2956.95 cm-1 View
  • 44 2960.33 cm-1 View
  • 45 3028.19 cm-1 View
  • 46 3031.50 cm-1 View
  • 47 3033.97 cm-1 View
  • 48 3034.69 cm-1 View
  • 49 3078.22 cm-1 View
  • 50 3078.33 cm-1 View
  • 51 3084.54 cm-1 View
  • 52 3084.68 cm-1 View
  • 53 3181.20 cm-1 View
  • 54 3181.36 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy22.87kJ mol-1
Polar Solvation Energy-0.98kJ mol-1
Nonpolar Solvation Energy23.87kJ mol-1
Surface Area114.27Å2
Charge of Molecule0
Dipole0.00Debye