Butane

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational349.97kJ mol-1
Total (Trans. + Rot. + Vib.)359.88kJ 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.)89.34J mol-1 K-1
Entropy
PropertyValueUnit
Translational159.40J mol-1 K-1
Rotational102.75J mol-1 K-1
Vibrational38.66J mol-1 K-1
Total (Trans. + Rot. + Vib.)300.81J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-119.29kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 173.83 cm-1 View
  • 2 202.75 cm-1 View
  • 3 254.96 cm-1 View
  • 4 361.91 cm-1 View
  • 5 477.58 cm-1 View
  • 6 813.79 cm-1 View
  • 7 853.30 cm-1 View
  • 8 917.45 cm-1 View
  • 9 980.66 cm-1 View
  • 10 1025.05 cm-1 View
  • 11 1034.75 cm-1 View
  • 12 1123.09 cm-1 View
  • 13 1125.11 cm-1 View
  • 14 1145.84 cm-1 View
  • 15 1145.92 cm-1 View
  • 16 1171.32 cm-1 View
  • 17 1295.53 cm-1 View
  • 18 1344.27 cm-1 View
  • 19 1388.36 cm-1 View
  • 20 1398.06 cm-1 View
  • 21 1405.79 cm-1 View
  • 22 1409.27 cm-1 View
  • 23 1414.22 cm-1 View
  • 24 1415.55 cm-1 View
  • 25 1425.95 cm-1 View
  • 26 1428.37 cm-1 View
  • 27 2955.37 cm-1 View
  • 28 2961.89 cm-1 View
  • 29 3026.17 cm-1 View
  • 30 3036.40 cm-1 View
  • 31 3042.19 cm-1 View
  • 32 3052.61 cm-1 View
  • 33 3087.71 cm-1 View
  • 34 3088.25 cm-1 View
  • 35 3167.39 cm-1 View
  • 36 3170.95 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy14.17kJ mol-1
Polar Solvation Energy-0.42kJ mol-1
Nonpolar Solvation Energy14.59kJ mol-1
Surface Area76.49Å2
Charge of Molecule0
Dipole0.05Debye