Pentane

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational426.83kJ mol-1
Total (Trans. + Rot. + Vib.)436.75kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational77.88J mol-1 K-1
Total (Trans. + Rot. + Vib.)111.13J mol-1 K-1
Entropy
PropertyValueUnit
Translational162.10J mol-1 K-1
Rotational108.90J mol-1 K-1
Vibrational69.64J mol-1 K-1
Total (Trans. + Rot. + Vib.)340.64J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-144.13kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 94.99 cm-1 View
  • 2 95.87 cm-1 View
  • 3 196.06 cm-1 View
  • 4 199.45 cm-1 View
  • 5 214.31 cm-1 View
  • 6 429.53 cm-1 View
  • 7 440.10 cm-1 View
  • 8 765.57 cm-1 View
  • 9 818.03 cm-1 View
  • 10 905.16 cm-1 View
  • 11 933.22 cm-1 View
  • 12 978.88 cm-1 View
  • 13 985.92 cm-1 View
  • 14 1105.95 cm-1 View
  • 15 1121.39 cm-1 View
  • 16 1124.31 cm-1 View
  • 17 1129.39 cm-1 View
  • 18 1146.76 cm-1 View
  • 19 1153.32 cm-1 View
  • 20 1158.99 cm-1 View
  • 21 1168.09 cm-1 View
  • 22 1230.69 cm-1 View
  • 23 1322.39 cm-1 View
  • 24 1377.57 cm-1 View
  • 25 1385.79 cm-1 View
  • 26 1408.80 cm-1 View
  • 27 1409.02 cm-1 View
  • 28 1411.61 cm-1 View
  • 29 1411.66 cm-1 View
  • 30 1413.99 cm-1 View
  • 31 1415.08 cm-1 View
  • 32 1432.03 cm-1 View
  • 33 1437.67 cm-1 View
  • 34 2941.53 cm-1 View
  • 35 2953.71 cm-1 View
  • 36 2960.29 cm-1 View
  • 37 3029.81 cm-1 View
  • 38 3034.11 cm-1 View
  • 39 3034.56 cm-1 View
  • 40 3078.48 cm-1 View
  • 41 3078.49 cm-1 View
  • 42 3084.62 cm-1 View
  • 43 3084.77 cm-1 View
  • 44 3181.51 cm-1 View
  • 45 3181.58 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy20.27kJ mol-1
Polar Solvation Energy-0.74kJ mol-1
Nonpolar Solvation Energy21.03kJ mol-1
Surface Area93.37Å2
Charge of Molecule0
Dipole0.01Debye