Butane

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational349.96kJ mol-1
Total (Trans. + Rot. + Vib.)359.87kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational56.08J mol-1 K-1
Total (Trans. + Rot. + Vib.)89.33J mol-1 K-1
Entropy
PropertyValueUnit
Translational159.40J mol-1 K-1
Rotational102.75J mol-1 K-1
Vibrational38.61J mol-1 K-1
Total (Trans. + Rot. + Vib.)300.76J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-119.31kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 174.77 cm-1 View
  • 2 202.92 cm-1 View
  • 3 255.01 cm-1 View
  • 4 361.89 cm-1 View
  • 5 477.52 cm-1 View
  • 6 813.74 cm-1 View
  • 7 853.49 cm-1 View
  • 8 917.59 cm-1 View
  • 9 980.68 cm-1 View
  • 10 1025.11 cm-1 View
  • 11 1034.72 cm-1 View
  • 12 1123.16 cm-1 View
  • 13 1125.16 cm-1 View
  • 14 1145.79 cm-1 View
  • 15 1145.94 cm-1 View
  • 16 1171.30 cm-1 View
  • 17 1295.43 cm-1 View
  • 18 1344.27 cm-1 View
  • 19 1388.29 cm-1 View
  • 20 1398.00 cm-1 View
  • 21 1405.69 cm-1 View
  • 22 1409.26 cm-1 View
  • 23 1414.25 cm-1 View
  • 24 1415.43 cm-1 View
  • 25 1426.00 cm-1 View
  • 26 1428.37 cm-1 View
  • 27 2955.77 cm-1 View
  • 28 2962.27 cm-1 View
  • 29 3025.66 cm-1 View
  • 30 3036.64 cm-1 View
  • 31 3042.36 cm-1 View
  • 32 3052.09 cm-1 View
  • 33 3087.39 cm-1 View
  • 34 3087.74 cm-1 View
  • 35 3166.81 cm-1 View
  • 36 3170.34 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy13.07kJ mol-1
Polar Solvation Energy-0.64kJ mol-1
Nonpolar Solvation Energy13.67kJ mol-1
Surface Area86.52Å2
Charge of Molecule0
Dipole0.05Debye