3-hydroxypropyl prop-2-enoate

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational423.86kJ mol-1
Total (Trans. + Rot. + Vib.)433.77kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational125.27J mol-1 K-1
Total (Trans. + Rot. + Vib.)158.53J mol-1 K-1
Entropy
PropertyValueUnit
Translational169.46J mol-1 K-1
Rotational123.09J mol-1 K-1
Vibrational137.71J mol-1 K-1
Total (Trans. + Rot. + Vib.)430.25J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-493.35kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 37.28 cm-1 View
  • 2 42.86 cm-1 View
  • 3 69.07 cm-1 View
  • 4 85.12 cm-1 View
  • 5 114.87 cm-1 View
  • 6 226.39 cm-1 View
  • 7 258.43 cm-1 View
  • 8 328.04 cm-1 View
  • 9 345.96 cm-1 View
  • 10 363.63 cm-1 View
  • 11 477.58 cm-1 View
  • 12 481.69 cm-1 View
  • 13 568.72 cm-1 View
  • 14 622.85 cm-1 View
  • 15 749.44 cm-1 View
  • 16 805.85 cm-1 View
  • 17 883.96 cm-1 View
  • 18 894.45 cm-1 View
  • 19 936.87 cm-1 View
  • 20 994.24 cm-1 View
  • 21 1022.16 cm-1 View
  • 22 1056.71 cm-1 View
  • 23 1057.65 cm-1 View
  • 24 1091.12 cm-1 View
  • 25 1111.39 cm-1 View
  • 26 1126.80 cm-1 View
  • 27 1131.93 cm-1 View
  • 28 1142.58 cm-1 View
  • 29 1154.31 cm-1 View
  • 30 1212.42 cm-1 View
  • 31 1257.14 cm-1 View
  • 32 1310.54 cm-1 View
  • 33 1334.44 cm-1 View
  • 34 1359.37 cm-1 View
  • 35 1369.57 cm-1 View
  • 36 1379.33 cm-1 View
  • 37 1384.08 cm-1 View
  • 38 1394.15 cm-1 View
  • 39 1408.91 cm-1 View
  • 40 1842.99 cm-1 View
  • 41 1966.81 cm-1 View
  • 42 2940.40 cm-1 View
  • 43 2950.11 cm-1 View
  • 44 2964.01 cm-1 View
  • 45 3022.67 cm-1 View
  • 46 3024.51 cm-1 View
  • 47 3039.28 cm-1 View
  • 48 3047.26 cm-1 View
  • 49 3127.18 cm-1 View
  • 50 3137.19 cm-1 View
  • 51 3885.00 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy0.68kJ mol-1
Polar Solvation Energy-23.87kJ mol-1
Nonpolar Solvation Energy24.54kJ mol-1
Surface Area133.93Å2
Charge of Molecule0
Dipole2.95Debye