Butane

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational349.83kJ mol-1
Total (Trans. + Rot. + Vib.)359.75kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational57.37J mol-1 K-1
Total (Trans. + Rot. + Vib.)90.63J mol-1 K-1
Entropy
PropertyValueUnit
Translational159.40J mol-1 K-1
Rotational102.92J mol-1 K-1
Vibrational46.42J mol-1 K-1
Total (Trans. + Rot. + Vib.)308.75J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-119.25kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 101.50 cm-1 View
  • 2 182.05 cm-1 View
  • 3 192.29 cm-1 View
  • 4 351.50 cm-1 View
  • 5 461.21 cm-1 View
  • 6 811.39 cm-1 View
  • 7 835.12 cm-1 View
  • 8 910.75 cm-1 View
  • 9 978.56 cm-1 View
  • 10 1017.72 cm-1 View
  • 11 1029.67 cm-1 View
  • 12 1115.05 cm-1 View
  • 13 1120.08 cm-1 View
  • 14 1151.09 cm-1 View
  • 15 1153.57 cm-1 View
  • 16 1172.63 cm-1 View
  • 17 1292.51 cm-1 View
  • 18 1346.58 cm-1 View
  • 19 1390.71 cm-1 View
  • 20 1407.28 cm-1 View
  • 21 1407.48 cm-1 View
  • 22 1411.21 cm-1 View
  • 23 1412.51 cm-1 View
  • 24 1413.01 cm-1 View
  • 25 1426.52 cm-1 View
  • 26 1426.66 cm-1 View
  • 27 2952.02 cm-1 View
  • 28 2955.62 cm-1 View
  • 29 3032.65 cm-1 View
  • 30 3036.11 cm-1 View
  • 31 3073.05 cm-1 View
  • 32 3077.25 cm-1 View
  • 33 3083.23 cm-1 View
  • 34 3083.87 cm-1 View
  • 35 3178.89 cm-1 View
  • 36 3181.11 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy14.37kJ mol-1
Polar Solvation Energy-0.68kJ mol-1
Nonpolar Solvation Energy15.05kJ mol-1
Surface Area85.87Å2
Charge of Molecule0
Dipole0.00Debye