Butane

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational350.06kJ mol-1
Total (Trans. + Rot. + Vib.)359.97kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational57.56J mol-1 K-1
Total (Trans. + Rot. + Vib.)90.82J mol-1 K-1
Entropy
PropertyValueUnit
Translational159.40J mol-1 K-1
Rotational102.43J mol-1 K-1
Vibrational46.90J mol-1 K-1
Total (Trans. + Rot. + Vib.)308.73J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-121.48kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 98.40 cm-1 View
  • 2 188.14 cm-1 View
  • 3 205.71 cm-1 View
  • 4 303.51 cm-1 View
  • 5 460.23 cm-1 View
  • 6 776.28 cm-1 View
  • 7 862.71 cm-1 View
  • 8 912.88 cm-1 View
  • 9 964.18 cm-1 View
  • 10 1000.07 cm-1 View
  • 11 1114.86 cm-1 View
  • 12 1118.13 cm-1 View
  • 13 1144.14 cm-1 View
  • 14 1145.82 cm-1 View
  • 15 1146.08 cm-1 View
  • 16 1166.92 cm-1 View
  • 17 1257.08 cm-1 View
  • 18 1362.07 cm-1 View
  • 19 1385.54 cm-1 View
  • 20 1409.00 cm-1 View
  • 21 1409.06 cm-1 View
  • 22 1411.54 cm-1 View
  • 23 1412.13 cm-1 View
  • 24 1417.29 cm-1 View
  • 25 1421.46 cm-1 View
  • 26 1439.74 cm-1 View
  • 27 2946.81 cm-1 View
  • 28 2960.14 cm-1 View
  • 29 3033.45 cm-1 View
  • 30 3036.18 cm-1 View
  • 31 3077.54 cm-1 View
  • 32 3078.63 cm-1 View
  • 33 3084.00 cm-1 View
  • 34 3084.65 cm-1 View
  • 35 3180.65 cm-1 View
  • 36 3181.65 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy12.13kJ mol-1
Polar Solvation Energy-0.54kJ mol-1
Nonpolar Solvation Energy12.67kJ mol-1
Surface Area81.58Å2
Charge of Molecule0
Dipole0.00Debye