Butane

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational350.07kJ mol-1
Total (Trans. + Rot. + Vib.)359.99kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational57.58J mol-1 K-1
Total (Trans. + Rot. + Vib.)90.84J mol-1 K-1
Entropy
PropertyValueUnit
Translational159.40J mol-1 K-1
Rotational102.44J mol-1 K-1
Vibrational47.06J mol-1 K-1
Total (Trans. + Rot. + Vib.)308.90J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-121.48kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 97.40 cm-1 View
  • 2 187.19 cm-1 View
  • 3 204.81 cm-1 View
  • 4 303.26 cm-1 View
  • 5 460.16 cm-1 View
  • 6 776.45 cm-1 View
  • 7 862.87 cm-1 View
  • 8 912.64 cm-1 View
  • 9 964.24 cm-1 View
  • 10 999.89 cm-1 View
  • 11 1114.86 cm-1 View
  • 12 1118.09 cm-1 View
  • 13 1144.19 cm-1 View
  • 14 1145.80 cm-1 View
  • 15 1146.02 cm-1 View
  • 16 1166.77 cm-1 View
  • 17 1257.12 cm-1 View
  • 18 1362.03 cm-1 View
  • 19 1385.60 cm-1 View
  • 20 1409.05 cm-1 View
  • 21 1409.07 cm-1 View
  • 22 1411.61 cm-1 View
  • 23 1412.20 cm-1 View
  • 24 1417.31 cm-1 View
  • 25 1421.42 cm-1 View
  • 26 1439.68 cm-1 View
  • 27 2946.82 cm-1 View
  • 28 2960.13 cm-1 View
  • 29 3033.51 cm-1 View
  • 30 3036.14 cm-1 View
  • 31 3078.56 cm-1 View
  • 32 3078.85 cm-1 View
  • 33 3084.75 cm-1 View
  • 34 3084.94 cm-1 View
  • 35 3181.67 cm-1 View
  • 36 3181.86 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy16.95kJ mol-1
Polar Solvation Energy-0.56kJ mol-1
Nonpolar Solvation Energy17.51kJ mol-1
Surface Area84.97Å2
Charge of Molecule0
Dipole0.00Debye