Pentane

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational426.84kJ mol-1
Total (Trans. + Rot. + Vib.)436.76kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational77.87J mol-1 K-1
Total (Trans. + Rot. + Vib.)111.12J mol-1 K-1
Entropy
PropertyValueUnit
Translational162.10J mol-1 K-1
Rotational108.90J mol-1 K-1
Vibrational69.67J mol-1 K-1
Total (Trans. + Rot. + Vib.)340.68J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-144.11kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 94.27 cm-1 View
  • 2 95.85 cm-1 View
  • 3 196.07 cm-1 View
  • 4 199.87 cm-1 View
  • 5 214.42 cm-1 View
  • 6 429.58 cm-1 View
  • 7 440.42 cm-1 View
  • 8 765.54 cm-1 View
  • 9 818.18 cm-1 View
  • 10 905.26 cm-1 View
  • 11 933.21 cm-1 View
  • 12 979.15 cm-1 View
  • 13 986.03 cm-1 View
  • 14 1105.97 cm-1 View
  • 15 1121.47 cm-1 View
  • 16 1124.35 cm-1 View
  • 17 1129.53 cm-1 View
  • 18 1146.85 cm-1 View
  • 19 1153.68 cm-1 View
  • 20 1158.93 cm-1 View
  • 21 1167.84 cm-1 View
  • 22 1231.00 cm-1 View
  • 23 1322.44 cm-1 View
  • 24 1377.76 cm-1 View
  • 25 1386.01 cm-1 View
  • 26 1408.99 cm-1 View
  • 27 1409.21 cm-1 View
  • 28 1411.62 cm-1 View
  • 29 1411.66 cm-1 View
  • 30 1414.13 cm-1 View
  • 31 1415.13 cm-1 View
  • 32 1432.25 cm-1 View
  • 33 1437.64 cm-1 View
  • 34 2941.29 cm-1 View
  • 35 2953.59 cm-1 View
  • 36 2960.06 cm-1 View
  • 37 3029.60 cm-1 View
  • 38 3034.13 cm-1 View
  • 39 3034.68 cm-1 View
  • 40 3078.41 cm-1 View
  • 41 3078.90 cm-1 View
  • 42 3084.15 cm-1 View
  • 43 3084.61 cm-1 View
  • 44 3181.27 cm-1 View
  • 45 3181.84 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy19.57kJ mol-1
Polar Solvation Energy-0.79kJ mol-1
Nonpolar Solvation Energy20.36kJ mol-1
Surface Area104.24Å2
Charge of Molecule0
Dipole0.00Debye