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
Vibrational57.58J mol-1 K-1
Total (Trans. + Rot. + Vib.)90.84J mol-1 K-1
Entropy
PropertyValueUnit
Translational159.40J mol-1 K-1
Rotational102.44J mol-1 K-1
Vibrational46.96J mol-1 K-1
Total (Trans. + Rot. + Vib.)308.80J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-121.45kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 98.69 cm-1 View
  • 2 186.97 cm-1 View
  • 3 204.75 cm-1 View
  • 4 303.47 cm-1 View
  • 5 460.16 cm-1 View
  • 6 776.45 cm-1 View
  • 7 862.78 cm-1 View
  • 8 912.29 cm-1 View
  • 9 964.16 cm-1 View
  • 10 999.71 cm-1 View
  • 11 1114.80 cm-1 View
  • 12 1118.17 cm-1 View
  • 13 1144.17 cm-1 View
  • 14 1145.81 cm-1 View
  • 15 1145.88 cm-1 View
  • 16 1166.56 cm-1 View
  • 17 1257.13 cm-1 View
  • 18 1361.95 cm-1 View
  • 19 1385.62 cm-1 View
  • 20 1409.16 cm-1 View
  • 21 1409.18 cm-1 View
  • 22 1411.48 cm-1 View
  • 23 1412.06 cm-1 View
  • 24 1417.13 cm-1 View
  • 25 1421.40 cm-1 View
  • 26 1439.58 cm-1 View
  • 27 2946.41 cm-1 View
  • 28 2959.72 cm-1 View
  • 29 3033.13 cm-1 View
  • 30 3035.77 cm-1 View
  • 31 3078.50 cm-1 View
  • 32 3078.70 cm-1 View
  • 33 3084.48 cm-1 View
  • 34 3084.56 cm-1 View
  • 35 3181.61 cm-1 View
  • 36 3181.63 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy16.16kJ mol-1
Polar Solvation Energy-0.56kJ mol-1
Nonpolar Solvation Energy16.72kJ mol-1
Surface Area81.05Å2
Charge of Molecule0
Dipole0.00Debye