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
Vibrational303.18kJ 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
Vibrational64.53J mol-1 K-1
Total (Trans. + Rot. + Vib.)97.79J mol-1 K-1
Entropy
PropertyValueUnit
Translational161.38J mol-1 K-1
Rotational106.80J mol-1 K-1
Vibrational50.77J mol-1 K-1
Total (Trans. + Rot. + Vib.)318.96J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation94.70kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 63.37 cm-1 View
  • 2 169.90 cm-1 View
  • 3 312.69 cm-1 View
  • 4 417.12 cm-1 View
  • 5 452.06 cm-1 View
  • 6 536.22 cm-1 View
  • 7 594.93 cm-1 View
  • 8 701.34 cm-1 View
  • 9 898.43 cm-1 View
  • 10 930.52 cm-1 View
  • 11 955.65 cm-1 View
  • 12 976.53 cm-1 View
  • 13 1002.16 cm-1 View
  • 14 1019.21 cm-1 View
  • 15 1044.15 cm-1 View
  • 16 1045.80 cm-1 View
  • 17 1223.43 cm-1 View
  • 18 1320.36 cm-1 View
  • 19 1334.55 cm-1 View
  • 20 1373.30 cm-1 View
  • 21 1399.50 cm-1 View
  • 22 1411.00 cm-1 View
  • 23 1478.56 cm-1 View
  • 24 1837.76 cm-1 View
  • 25 1875.96 cm-1 View
  • 26 3023.13 cm-1 View
  • 27 3068.91 cm-1 View
  • 28 3074.41 cm-1 View
  • 29 3133.42 cm-1 View
  • 30 3138.40 cm-1 View
  • 31 3140.75 cm-1 View
  • 32 3145.74 cm-1 View
  • 33 3168.53 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy9.84kJ mol-1
Polar Solvation Energy-3.11kJ mol-1
Nonpolar Solvation Energy12.92kJ mol-1
Surface Area89.27Å2
Charge of Molecule0
Dipole0.23Debye