2-methylbuta-1,3-diene

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational303.19kJ mol-1
Total (Trans. + Rot. + Vib.)313.10kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational64.52J mol-1 K-1
Total (Trans. + Rot. + Vib.)97.78J mol-1 K-1
Entropy
PropertyValueUnit
Translational161.38J mol-1 K-1
Rotational106.80J mol-1 K-1
Vibrational50.66J mol-1 K-1
Total (Trans. + Rot. + Vib.)318.84J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation94.70kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 64.16 cm-1 View
  • 2 169.95 cm-1 View
  • 3 312.76 cm-1 View
  • 4 417.52 cm-1 View
  • 5 452.13 cm-1 View
  • 6 536.22 cm-1 View
  • 7 594.96 cm-1 View
  • 8 701.50 cm-1 View
  • 9 898.42 cm-1 View
  • 10 930.48 cm-1 View
  • 11 955.64 cm-1 View
  • 12 976.47 cm-1 View
  • 13 1002.17 cm-1 View
  • 14 1019.20 cm-1 View
  • 15 1044.16 cm-1 View
  • 16 1045.78 cm-1 View
  • 17 1223.43 cm-1 View
  • 18 1320.38 cm-1 View
  • 19 1334.49 cm-1 View
  • 20 1373.27 cm-1 View
  • 21 1399.58 cm-1 View
  • 22 1410.97 cm-1 View
  • 23 1478.70 cm-1 View
  • 24 1837.60 cm-1 View
  • 25 1875.81 cm-1 View
  • 26 3023.16 cm-1 View
  • 27 3069.03 cm-1 View
  • 28 3074.39 cm-1 View
  • 29 3133.65 cm-1 View
  • 30 3138.55 cm-1 View
  • 31 3140.78 cm-1 View
  • 32 3146.07 cm-1 View
  • 33 3168.59 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy12.41kJ mol-1
Polar Solvation Energy-2.81kJ mol-1
Nonpolar Solvation Energy15.22kJ mol-1
Surface Area86.41Å2
Charge of Molecule0
Dipole0.24Debye