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
Vibrational64.54J mol-1 K-1
Total (Trans. + Rot. + Vib.)97.80J mol-1 K-1
Entropy
PropertyValueUnit
Translational161.38J mol-1 K-1
Rotational106.80J mol-1 K-1
Vibrational51.05J mol-1 K-1
Total (Trans. + Rot. + Vib.)319.23J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation94.70kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 61.45 cm-1 View
  • 2 169.65 cm-1 View
  • 3 312.88 cm-1 View
  • 4 416.45 cm-1 View
  • 5 452.16 cm-1 View
  • 6 536.32 cm-1 View
  • 7 594.61 cm-1 View
  • 8 701.32 cm-1 View
  • 9 898.57 cm-1 View
  • 10 930.30 cm-1 View
  • 11 955.84 cm-1 View
  • 12 976.45 cm-1 View
  • 13 1002.18 cm-1 View
  • 14 1019.11 cm-1 View
  • 15 1044.25 cm-1 View
  • 16 1045.66 cm-1 View
  • 17 1223.46 cm-1 View
  • 18 1320.44 cm-1 View
  • 19 1334.58 cm-1 View
  • 20 1373.29 cm-1 View
  • 21 1399.66 cm-1 View
  • 22 1410.93 cm-1 View
  • 23 1478.61 cm-1 View
  • 24 1837.58 cm-1 View
  • 25 1875.83 cm-1 View
  • 26 3023.20 cm-1 View
  • 27 3069.09 cm-1 View
  • 28 3074.42 cm-1 View
  • 29 3133.88 cm-1 View
  • 30 3138.60 cm-1 View
  • 31 3140.90 cm-1 View
  • 32 3146.17 cm-1 View
  • 33 3168.67 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy4.05kJ mol-1
Polar Solvation Energy-3.28kJ mol-1
Nonpolar Solvation Energy7.32kJ mol-1
Surface Area97.04Å2
Charge of Molecule0
Dipole0.24Debye