Prop-2-enoic acid

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational181.33kJ mol-1
Total (Trans. + Rot. + Vib.)191.25kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational49.06J mol-1 K-1
Total (Trans. + Rot. + Vib.)82.32J mol-1 K-1
Entropy
PropertyValueUnit
Translational162.09J mol-1 K-1
Rotational105.55J mol-1 K-1
Vibrational38.18J mol-1 K-1
Total (Trans. + Rot. + Vib.)305.82J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-314.88kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 76.04 cm-1 View
  • 2 274.00 cm-1 View
  • 3 417.51 cm-1 View
  • 4 457.07 cm-1 View
  • 5 534.21 cm-1 View
  • 6 555.45 cm-1 View
  • 7 751.22 cm-1 View
  • 8 887.72 cm-1 View
  • 9 938.51 cm-1 View
  • 10 1058.97 cm-1 View
  • 11 1076.76 cm-1 View
  • 12 1210.78 cm-1 View
  • 13 1238.65 cm-1 View
  • 14 1314.56 cm-1 View
  • 15 1459.43 cm-1 View
  • 16 1843.44 cm-1 View
  • 17 1973.94 cm-1 View
  • 18 3045.36 cm-1 View
  • 19 3124.75 cm-1 View
  • 20 3136.83 cm-1 View
  • 21 3855.35 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-8.43kJ mol-1
Polar Solvation Energy-19.09kJ mol-1
Nonpolar Solvation Energy10.66kJ mol-1
Surface Area85.10Å2
Charge of Molecule0
Dipole2.25Debye