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
Vibrational98.18J mol-1 K-1
Total (Trans. + Rot. + Vib.)131.43J mol-1 K-1
Entropy
PropertyValueUnit
Translational164.31J mol-1 K-1
Rotational113.93J mol-1 K-1
Vibrational94.20J mol-1 K-1
Total (Trans. + Rot. + Vib.)372.44J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-166.79kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 66.03 cm-1 View
  • 2 92.63 cm-1 View
  • 3 120.24 cm-1 View
  • 4 160.66 cm-1 View
  • 5 196.07 cm-1 View
  • 6 201.76 cm-1 View
  • 7 333.79 cm-1 View
  • 8 401.01 cm-1 View
  • 9 506.13 cm-1 View
  • 10 760.56 cm-1 View
  • 11 793.83 cm-1 View
  • 12 857.70 cm-1 View
  • 13 932.87 cm-1 View
  • 14 952.71 cm-1 View
  • 15 964.03 cm-1 View
  • 16 988.02 cm-1 View
  • 17 1098.67 cm-1 View
  • 18 1116.94 cm-1 View
  • 19 1117.62 cm-1 View
  • 20 1130.68 cm-1 View
  • 21 1132.37 cm-1 View
  • 22 1148.25 cm-1 View
  • 23 1150.69 cm-1 View
  • 24 1160.43 cm-1 View
  • 25 1163.82 cm-1 View
  • 26 1164.13 cm-1 View
  • 27 1220.69 cm-1 View
  • 28 1284.81 cm-1 View
  • 29 1354.82 cm-1 View
  • 30 1383.62 cm-1 View
  • 31 1385.84 cm-1 View
  • 32 1409.13 cm-1 View
  • 33 1409.16 cm-1 View
  • 34 1410.19 cm-1 View
  • 35 1411.82 cm-1 View
  • 36 1412.47 cm-1 View
  • 37 1412.79 cm-1 View
  • 38 1424.82 cm-1 View
  • 39 1431.08 cm-1 View
  • 40 1439.29 cm-1 View
  • 41 2938.44 cm-1 View
  • 42 2948.20 cm-1 View
  • 43 2956.65 cm-1 View
  • 44 2959.91 cm-1 View
  • 45 3027.67 cm-1 View
  • 46 3030.97 cm-1 View
  • 47 3033.90 cm-1 View
  • 48 3034.56 cm-1 View
  • 49 3078.52 cm-1 View
  • 50 3078.85 cm-1 View
  • 51 3084.39 cm-1 View
  • 52 3084.58 cm-1 View
  • 53 3181.49 cm-1 View
  • 54 3181.78 cm-1 View