Butane

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational350.05kJ mol-1
Total (Trans. + Rot. + Vib.)359.96kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational57.57J mol-1 K-1
Total (Trans. + Rot. + Vib.)90.83J mol-1 K-1
Entropy
PropertyValueUnit
Translational159.40J mol-1 K-1
Rotational102.44J mol-1 K-1
Vibrational46.89J mol-1 K-1
Total (Trans. + Rot. + Vib.)308.73J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-121.45kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 98.88 cm-1 View
  • 2 187.67 cm-1 View
  • 3 205.30 cm-1 View
  • 4 303.57 cm-1 View
  • 5 460.24 cm-1 View
  • 6 776.43 cm-1 View
  • 7 862.80 cm-1 View
  • 8 912.48 cm-1 View
  • 9 964.16 cm-1 View
  • 10 999.80 cm-1 View
  • 11 1114.79 cm-1 View
  • 12 1118.16 cm-1 View
  • 13 1144.13 cm-1 View
  • 14 1145.81 cm-1 View
  • 15 1145.91 cm-1 View
  • 16 1166.71 cm-1 View
  • 17 1257.06 cm-1 View
  • 18 1361.97 cm-1 View
  • 19 1385.56 cm-1 View
  • 20 1408.96 cm-1 View
  • 21 1409.08 cm-1 View
  • 22 1411.50 cm-1 View
  • 23 1412.10 cm-1 View
  • 24 1417.18 cm-1 View
  • 25 1421.36 cm-1 View
  • 26 1439.58 cm-1 View
  • 27 2946.64 cm-1 View
  • 28 2959.96 cm-1 View
  • 29 3033.33 cm-1 View
  • 30 3035.96 cm-1 View
  • 31 3078.17 cm-1 View
  • 32 3078.41 cm-1 View
  • 33 3084.35 cm-1 View
  • 34 3084.57 cm-1 View
  • 35 3181.25 cm-1 View
  • 36 3181.36 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy15.62kJ mol-1
Polar Solvation Energy-0.60kJ mol-1
Nonpolar Solvation Energy16.22kJ mol-1
Surface Area81.16Å2
Charge of Molecule0
Dipole0.00Debye