Butane

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational349.94kJ mol-1
Total (Trans. + Rot. + Vib.)359.86kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational56.09J mol-1 K-1
Total (Trans. + Rot. + Vib.)89.35J mol-1 K-1
Entropy
PropertyValueUnit
Translational159.40J mol-1 K-1
Rotational102.75J mol-1 K-1
Vibrational38.69J mol-1 K-1
Total (Trans. + Rot. + Vib.)300.84J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-119.29kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 174.05 cm-1 View
  • 2 202.31 cm-1 View
  • 3 254.36 cm-1 View
  • 4 361.57 cm-1 View
  • 5 477.63 cm-1 View
  • 6 813.86 cm-1 View
  • 7 853.19 cm-1 View
  • 8 917.49 cm-1 View
  • 9 980.67 cm-1 View
  • 10 1025.09 cm-1 View
  • 11 1034.50 cm-1 View
  • 12 1123.07 cm-1 View
  • 13 1125.15 cm-1 View
  • 14 1145.80 cm-1 View
  • 15 1145.98 cm-1 View
  • 16 1171.28 cm-1 View
  • 17 1295.44 cm-1 View
  • 18 1344.20 cm-1 View
  • 19 1388.33 cm-1 View
  • 20 1397.98 cm-1 View
  • 21 1405.64 cm-1 View
  • 22 1409.27 cm-1 View
  • 23 1414.26 cm-1 View
  • 24 1415.30 cm-1 View
  • 25 1425.82 cm-1 View
  • 26 1428.35 cm-1 View
  • 27 2955.66 cm-1 View
  • 28 2962.20 cm-1 View
  • 29 3025.35 cm-1 View
  • 30 3036.58 cm-1 View
  • 31 3042.33 cm-1 View
  • 32 3051.87 cm-1 View
  • 33 3087.20 cm-1 View
  • 34 3088.20 cm-1 View
  • 35 3166.86 cm-1 View
  • 36 3170.49 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy13.48kJ mol-1
Polar Solvation Energy-0.53kJ mol-1
Nonpolar Solvation Energy14.00kJ mol-1
Surface Area81.01Å2
Charge of Molecule0
Dipole0.05Debye