Butane

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational349.96kJ mol-1
Total (Trans. + Rot. + Vib.)359.88kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational56.08J mol-1 K-1
Total (Trans. + Rot. + Vib.)89.34J mol-1 K-1
Entropy
PropertyValueUnit
Translational159.40J mol-1 K-1
Rotational102.75J mol-1 K-1
Vibrational38.65J mol-1 K-1
Total (Trans. + Rot. + Vib.)300.80J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-119.31kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 174.75 cm-1 View
  • 2 201.99 cm-1 View
  • 3 254.76 cm-1 View
  • 4 362.10 cm-1 View
  • 5 477.60 cm-1 View
  • 6 813.79 cm-1 View
  • 7 853.40 cm-1 View
  • 8 917.49 cm-1 View
  • 9 980.53 cm-1 View
  • 10 1024.96 cm-1 View
  • 11 1034.77 cm-1 View
  • 12 1123.08 cm-1 View
  • 13 1125.11 cm-1 View
  • 14 1145.83 cm-1 View
  • 15 1145.88 cm-1 View
  • 16 1171.30 cm-1 View
  • 17 1295.45 cm-1 View
  • 18 1344.35 cm-1 View
  • 19 1388.28 cm-1 View
  • 20 1397.99 cm-1 View
  • 21 1405.78 cm-1 View
  • 22 1409.37 cm-1 View
  • 23 1414.32 cm-1 View
  • 24 1415.54 cm-1 View
  • 25 1425.92 cm-1 View
  • 26 1428.27 cm-1 View
  • 27 2955.31 cm-1 View
  • 28 2961.83 cm-1 View
  • 29 3025.89 cm-1 View
  • 30 3036.23 cm-1 View
  • 31 3042.00 cm-1 View
  • 32 3052.32 cm-1 View
  • 33 3087.89 cm-1 View
  • 34 3088.23 cm-1 View
  • 35 3167.52 cm-1 View
  • 36 3170.99 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy11.97kJ mol-1
Polar Solvation Energy-0.60kJ mol-1
Nonpolar Solvation Energy12.58kJ mol-1
Surface Area83.77Å2
Charge of Molecule0
Dipole0.05Debye