Hexane

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational503.61kJ 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
Vibrational98.20J 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
Vibrational94.45J mol-1 K-1
Total (Trans. + Rot. + Vib.)372.70J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-166.76kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 65.73 cm-1 View
  • 2 91.82 cm-1 View
  • 3 120.02 cm-1 View
  • 4 160.44 cm-1 View
  • 5 194.52 cm-1 View
  • 6 200.37 cm-1 View
  • 7 333.65 cm-1 View
  • 8 400.98 cm-1 View
  • 9 506.05 cm-1 View
  • 10 760.73 cm-1 View
  • 11 793.94 cm-1 View
  • 12 857.76 cm-1 View
  • 13 932.84 cm-1 View
  • 14 952.60 cm-1 View
  • 15 963.93 cm-1 View
  • 16 987.96 cm-1 View
  • 17 1098.65 cm-1 View
  • 18 1116.90 cm-1 View
  • 19 1117.62 cm-1 View
  • 20 1130.68 cm-1 View
  • 21 1132.35 cm-1 View
  • 22 1148.23 cm-1 View
  • 23 1150.64 cm-1 View
  • 24 1160.37 cm-1 View
  • 25 1163.79 cm-1 View
  • 26 1164.11 cm-1 View
  • 27 1220.67 cm-1 View
  • 28 1284.78 cm-1 View
  • 29 1354.80 cm-1 View
  • 30 1383.63 cm-1 View
  • 31 1385.88 cm-1 View
  • 32 1409.08 cm-1 View
  • 33 1409.11 cm-1 View
  • 34 1410.21 cm-1 View
  • 35 1411.84 cm-1 View
  • 36 1412.47 cm-1 View
  • 37 1412.80 cm-1 View
  • 38 1424.84 cm-1 View
  • 39 1431.07 cm-1 View
  • 40 1439.26 cm-1 View
  • 41 2938.48 cm-1 View
  • 42 2948.24 cm-1 View
  • 43 2956.69 cm-1 View
  • 44 2959.94 cm-1 View
  • 45 3027.71 cm-1 View
  • 46 3031.01 cm-1 View
  • 47 3033.97 cm-1 View
  • 48 3034.63 cm-1 View
  • 49 3078.68 cm-1 View
  • 50 3078.89 cm-1 View
  • 51 3084.48 cm-1 View
  • 52 3084.58 cm-1 View
  • 53 3181.62 cm-1 View
  • 54 3181.79 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy19.64kJ mol-1
Polar Solvation Energy-0.55kJ mol-1
Nonpolar Solvation Energy20.19kJ mol-1
Surface Area101.42Å2
Charge of Molecule0
Dipole0.00Debye