Hexane

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational503.60kJ mol-1
Total (Trans. + Rot. + Vib.)513.52kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational98.20J mol-1 K-1
Total (Trans. + Rot. + Vib.)131.46J mol-1 K-1
Entropy
PropertyValueUnit
Translational164.31J mol-1 K-1
Rotational113.93J mol-1 K-1
Vibrational94.28J mol-1 K-1
Total (Trans. + Rot. + Vib.)372.53J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-166.79kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 66.26 cm-1 View
  • 2 92.66 cm-1 View
  • 3 120.60 cm-1 View
  • 4 160.21 cm-1 View
  • 5 194.65 cm-1 View
  • 6 200.57 cm-1 View
  • 7 333.49 cm-1 View
  • 8 400.87 cm-1 View
  • 9 505.98 cm-1 View
  • 10 760.45 cm-1 View
  • 11 793.74 cm-1 View
  • 12 857.64 cm-1 View
  • 13 932.68 cm-1 View
  • 14 952.69 cm-1 View
  • 15 964.02 cm-1 View
  • 16 987.82 cm-1 View
  • 17 1098.60 cm-1 View
  • 18 1116.95 cm-1 View
  • 19 1117.49 cm-1 View
  • 20 1130.63 cm-1 View
  • 21 1132.27 cm-1 View
  • 22 1148.17 cm-1 View
  • 23 1150.54 cm-1 View
  • 24 1160.36 cm-1 View
  • 25 1163.65 cm-1 View
  • 26 1164.02 cm-1 View
  • 27 1220.56 cm-1 View
  • 28 1284.66 cm-1 View
  • 29 1354.73 cm-1 View
  • 30 1383.51 cm-1 View
  • 31 1385.78 cm-1 View
  • 32 1409.04 cm-1 View
  • 33 1409.10 cm-1 View
  • 34 1410.13 cm-1 View
  • 35 1411.80 cm-1 View
  • 36 1412.39 cm-1 View
  • 37 1412.77 cm-1 View
  • 38 1424.73 cm-1 View
  • 39 1431.00 cm-1 View
  • 40 1439.16 cm-1 View
  • 41 2938.62 cm-1 View
  • 42 2948.32 cm-1 View
  • 43 2956.75 cm-1 View
  • 44 2960.06 cm-1 View
  • 45 3027.86 cm-1 View
  • 46 3031.20 cm-1 View
  • 47 3033.91 cm-1 View
  • 48 3034.59 cm-1 View
  • 49 3078.45 cm-1 View
  • 50 3078.74 cm-1 View
  • 51 3084.76 cm-1 View
  • 52 3084.86 cm-1 View
  • 53 3181.60 cm-1 View
  • 54 3181.85 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy17.22kJ mol-1
Polar Solvation Energy-0.65kJ mol-1
Nonpolar Solvation Energy17.89kJ mol-1
Surface Area103.44Å2
Charge of Molecule0
Dipole0.00Debye