Octane

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational657.15kJ mol-1
Total (Trans. + Rot. + Vib.)667.07kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational138.86J mol-1 K-1
Total (Trans. + Rot. + Vib.)172.11J mol-1 K-1
Entropy
PropertyValueUnit
Translational167.83J mol-1 K-1
Rotational122.15J mol-1 K-1
Vibrational146.13J mol-1 K-1
Total (Trans. + Rot. + Vib.)436.10J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-212.09kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 44.28 cm-1 View
  • 2 69.37 cm-1 View
  • 3 92.57 cm-1 View
  • 4 97.26 cm-1 View
  • 5 115.46 cm-1 View
  • 6 129.10 cm-1 View
  • 7 197.11 cm-1 View
  • 8 198.43 cm-1 View
  • 9 229.80 cm-1 View
  • 10 297.00 cm-1 View
  • 11 380.42 cm-1 View
  • 12 507.29 cm-1 View
  • 13 512.37 cm-1 View
  • 14 756.17 cm-1 View
  • 15 771.68 cm-1 View
  • 16 804.54 cm-1 View
  • 17 854.97 cm-1 View
  • 18 913.22 cm-1 View
  • 19 951.67 cm-1 View
  • 20 963.93 cm-1 View
  • 21 964.07 cm-1 View
  • 22 997.46 cm-1 View
  • 23 1089.01 cm-1 View
  • 24 1112.70 cm-1 View
  • 25 1117.13 cm-1 View
  • 26 1117.37 cm-1 View
  • 27 1125.22 cm-1 View
  • 28 1126.32 cm-1 View
  • 29 1133.64 cm-1 View
  • 30 1147.39 cm-1 View
  • 31 1147.48 cm-1 View
  • 32 1151.42 cm-1 View
  • 33 1153.29 cm-1 View
  • 34 1166.06 cm-1 View
  • 35 1172.22 cm-1 View
  • 36 1172.81 cm-1 View
  • 37 1206.68 cm-1 View
  • 38 1245.92 cm-1 View
  • 39 1297.49 cm-1 View
  • 40 1350.11 cm-1 View
  • 41 1379.68 cm-1 View
  • 42 1385.42 cm-1 View
  • 43 1386.13 cm-1 View
  • 44 1408.40 cm-1 View
  • 45 1408.82 cm-1 View
  • 46 1408.95 cm-1 View
  • 47 1409.01 cm-1 View
  • 48 1411.84 cm-1 View
  • 49 1412.23 cm-1 View
  • 50 1418.42 cm-1 View
  • 51 1420.19 cm-1 View
  • 52 1428.29 cm-1 View
  • 53 1434.79 cm-1 View
  • 54 1439.67 cm-1 View
  • 55 2936.02 cm-1 View
  • 56 2942.04 cm-1 View
  • 57 2948.98 cm-1 View
  • 58 2954.96 cm-1 View
  • 59 2958.86 cm-1 View
  • 60 2959.88 cm-1 View
  • 61 3026.12 cm-1 View
  • 62 3028.94 cm-1 View
  • 63 3030.66 cm-1 View
  • 64 3030.95 cm-1 View
  • 65 3034.33 cm-1 View
  • 66 3034.46 cm-1 View
  • 67 3078.32 cm-1 View
  • 68 3078.71 cm-1 View
  • 69 3084.58 cm-1 View
  • 70 3084.76 cm-1 View
  • 71 3181.46 cm-1 View
  • 72 3181.71 cm-1 View