Butane

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational349.82kJ mol-1
Total (Trans. + Rot. + Vib.)359.73kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational57.36J mol-1 K-1
Total (Trans. + Rot. + Vib.)90.62J mol-1 K-1
Entropy
PropertyValueUnit
Translational159.40J mol-1 K-1
Rotational102.92J mol-1 K-1
Vibrational46.34J mol-1 K-1
Total (Trans. + Rot. + Vib.)308.67J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-119.27kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 101.80 cm-1 View
  • 2 183.14 cm-1 View
  • 3 192.47 cm-1 View
  • 4 351.45 cm-1 View
  • 5 461.28 cm-1 View
  • 6 811.46 cm-1 View
  • 7 835.15 cm-1 View
  • 8 910.92 cm-1 View
  • 9 978.66 cm-1 View
  • 10 1017.61 cm-1 View
  • 11 1029.75 cm-1 View
  • 12 1115.05 cm-1 View
  • 13 1120.13 cm-1 View
  • 14 1151.12 cm-1 View
  • 15 1153.58 cm-1 View
  • 16 1172.66 cm-1 View
  • 17 1292.64 cm-1 View
  • 18 1346.63 cm-1 View
  • 19 1390.81 cm-1 View
  • 20 1407.20 cm-1 View
  • 21 1407.54 cm-1 View
  • 22 1411.22 cm-1 View
  • 23 1412.55 cm-1 View
  • 24 1413.06 cm-1 View
  • 25 1426.53 cm-1 View
  • 26 1426.72 cm-1 View
  • 27 2951.56 cm-1 View
  • 28 2955.09 cm-1 View
  • 29 3032.30 cm-1 View
  • 30 3035.68 cm-1 View
  • 31 3073.01 cm-1 View
  • 32 3077.07 cm-1 View
  • 33 3082.91 cm-1 View
  • 34 3083.41 cm-1 View
  • 35 3178.67 cm-1 View
  • 36 3180.74 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy13.13kJ mol-1
Polar Solvation Energy-0.53kJ mol-1
Nonpolar Solvation Energy13.63kJ mol-1
Surface Area84.04Å2
Charge of Molecule0
Dipole0.01Debye