Pentane

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational426.99kJ mol-1
Total (Trans. + Rot. + Vib.)436.91kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational75.75J mol-1 K-1
Total (Trans. + Rot. + Vib.)109.01J mol-1 K-1
Entropy
PropertyValueUnit
Translational162.10J mol-1 K-1
Rotational108.97J mol-1 K-1
Vibrational60.30J mol-1 K-1
Total (Trans. + Rot. + Vib.)331.37J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-141.02kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 89.14 cm-1 View
  • 2 164.83 cm-1 View
  • 3 186.27 cm-1 View
  • 4 245.72 cm-1 View
  • 5 358.31 cm-1 View
  • 6 429.57 cm-1 View
  • 7 484.83 cm-1 View
  • 8 807.93 cm-1 View
  • 9 832.95 cm-1 View
  • 10 895.09 cm-1 View
  • 11 924.98 cm-1 View
  • 12 968.85 cm-1 View
  • 13 1024.91 cm-1 View
  • 14 1041.96 cm-1 View
  • 15 1058.39 cm-1 View
  • 16 1122.33 cm-1 View
  • 17 1130.94 cm-1 View
  • 18 1139.10 cm-1 View
  • 19 1158.20 cm-1 View
  • 20 1164.80 cm-1 View
  • 21 1190.00 cm-1 View
  • 22 1282.54 cm-1 View
  • 23 1326.14 cm-1 View
  • 24 1360.71 cm-1 View
  • 25 1391.05 cm-1 View
  • 26 1401.17 cm-1 View
  • 27 1407.86 cm-1 View
  • 28 1410.48 cm-1 View
  • 29 1411.14 cm-1 View
  • 30 1413.47 cm-1 View
  • 31 1422.22 cm-1 View
  • 32 1426.76 cm-1 View
  • 33 1441.49 cm-1 View
  • 34 2918.92 cm-1 View
  • 35 2951.13 cm-1 View
  • 36 2958.24 cm-1 View
  • 37 3015.88 cm-1 View
  • 38 3032.33 cm-1 View
  • 39 3037.10 cm-1 View
  • 40 3043.29 cm-1 View
  • 41 3075.51 cm-1 View
  • 42 3083.35 cm-1 View
  • 43 3087.60 cm-1 View
  • 44 3169.10 cm-1 View
  • 45 3179.94 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy16.74kJ mol-1
Polar Solvation Energy-0.69kJ mol-1
Nonpolar Solvation Energy17.39kJ mol-1
Surface Area96.07Å2
Charge of Molecule0
Dipole0.06Debye