2,3-dimethylbuta-1,3-diene

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational381.07kJ mol-1
Total (Trans. + Rot. + Vib.)390.98kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational86.98J mol-1 K-1
Total (Trans. + Rot. + Vib.)120.23J mol-1 K-1
Entropy
PropertyValueUnit
Translational163.72J mol-1 K-1
Rotational111.57J mol-1 K-1
Vibrational74.76J mol-1 K-1
Total (Trans. + Rot. + Vib.)350.04J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation59.67kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 51.69 cm-1 View
  • 2 107.78 cm-1 View
  • 3 168.63 cm-1 View
  • 4 295.35 cm-1 View
  • 5 312.90 cm-1 View
  • 6 412.01 cm-1 View
  • 7 485.35 cm-1 View
  • 8 532.72 cm-1 View
  • 9 575.74 cm-1 View
  • 10 616.07 cm-1 View
  • 11 689.31 cm-1 View
  • 12 867.03 cm-1 View
  • 13 946.65 cm-1 View
  • 14 959.38 cm-1 View
  • 15 976.85 cm-1 View
  • 16 978.69 cm-1 View
  • 17 1003.23 cm-1 View
  • 18 1018.31 cm-1 View
  • 19 1039.96 cm-1 View
  • 20 1052.75 cm-1 View
  • 21 1231.33 cm-1 View
  • 22 1321.68 cm-1 View
  • 23 1326.34 cm-1 View
  • 24 1370.81 cm-1 View
  • 25 1389.29 cm-1 View
  • 26 1393.73 cm-1 View
  • 27 1394.33 cm-1 View
  • 28 1404.63 cm-1 View
  • 29 1424.02 cm-1 View
  • 30 1511.65 cm-1 View
  • 31 1848.14 cm-1 View
  • 32 1883.77 cm-1 View
  • 33 3030.43 cm-1 View
  • 34 3065.11 cm-1 View
  • 35 3077.41 cm-1 View
  • 36 3077.69 cm-1 View
  • 37 3093.58 cm-1 View
  • 38 3137.82 cm-1 View
  • 39 3139.88 cm-1 View
  • 40 3144.98 cm-1 View
  • 41 3156.94 cm-1 View
  • 42 3167.97 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy11.62kJ mol-1
Polar Solvation Energy-3.47kJ mol-1
Nonpolar Solvation Energy15.09kJ mol-1
Surface Area106.86Å2
Charge of Molecule0
Dipole0.13Debye