2-methylprop-2-enal

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational241.22kJ mol-1
Total (Trans. + Rot. + Vib.)251.14kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational56.58J mol-1 K-1
Total (Trans. + Rot. + Vib.)89.84J mol-1 K-1
Entropy
PropertyValueUnit
Translational161.74J mol-1 K-1
Rotational106.52J mol-1 K-1
Vibrational49.58J mol-1 K-1
Total (Trans. + Rot. + Vib.)317.84J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-115.87kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 76.04 cm-1 View
  • 2 116.74 cm-1 View
  • 3 299.61 cm-1 View
  • 4 417.47 cm-1 View
  • 5 454.09 cm-1 View
  • 6 605.65 cm-1 View
  • 7 610.27 cm-1 View
  • 8 947.74 cm-1 View
  • 9 954.93 cm-1 View
  • 10 969.40 cm-1 View
  • 11 998.73 cm-1 View
  • 12 1012.91 cm-1 View
  • 13 1063.93 cm-1 View
  • 14 1206.03 cm-1 View
  • 15 1323.87 cm-1 View
  • 16 1349.76 cm-1 View
  • 17 1396.41 cm-1 View
  • 18 1396.53 cm-1 View
  • 19 1446.24 cm-1 View
  • 20 1864.29 cm-1 View
  • 21 1973.29 cm-1 View
  • 22 2928.63 cm-1 View
  • 23 3068.55 cm-1 View
  • 24 3077.38 cm-1 View
  • 25 3126.86 cm-1 View
  • 26 3131.66 cm-1 View
  • 27 3168.99 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-0.48kJ mol-1
Polar Solvation Energy-13.89kJ mol-1
Nonpolar Solvation Energy13.38kJ mol-1
Surface Area91.59Å2
Charge of Molecule0
Dipole3.05Debye