Ethyl acetate

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational317.35kJ mol-1
Total (Trans. + Rot. + Vib.)327.26kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational78.45J mol-1 K-1
Total (Trans. + Rot. + Vib.)111.71J mol-1 K-1
Entropy
PropertyValueUnit
Translational164.59J mol-1 K-1
Rotational111.50J mol-1 K-1
Vibrational79.52J mol-1 K-1
Total (Trans. + Rot. + Vib.)355.61J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-415.38kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 72.02 cm-1 View
  • 2 81.88 cm-1 View
  • 3 106.64 cm-1 View
  • 4 163.68 cm-1 View
  • 5 288.91 cm-1 View
  • 6 382.31 cm-1 View
  • 7 467.76 cm-1 View
  • 8 567.20 cm-1 View
  • 9 601.50 cm-1 View
  • 10 835.17 cm-1 View
  • 11 901.68 cm-1 View
  • 12 983.51 cm-1 View
  • 13 992.49 cm-1 View
  • 14 1009.73 cm-1 View
  • 15 1111.48 cm-1 View
  • 16 1114.09 cm-1 View
  • 17 1115.33 cm-1 View
  • 18 1146.36 cm-1 View
  • 19 1310.33 cm-1 View
  • 20 1335.30 cm-1 View
  • 21 1361.78 cm-1 View
  • 22 1381.79 cm-1 View
  • 23 1388.26 cm-1 View
  • 24 1400.83 cm-1 View
  • 25 1404.10 cm-1 View
  • 26 1406.78 cm-1 View
  • 27 1410.13 cm-1 View
  • 28 1975.12 cm-1 View
  • 29 2956.94 cm-1 View
  • 30 3025.95 cm-1 View
  • 31 3084.35 cm-1 View
  • 32 3087.26 cm-1 View
  • 33 3090.36 cm-1 View
  • 34 3090.74 cm-1 View
  • 35 3177.22 cm-1 View
  • 36 3185.76 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy3.03kJ mol-1
Polar Solvation Energy-16.99kJ mol-1
Nonpolar Solvation Energy19.98kJ mol-1
Surface Area98.92Å2
Charge of Molecule0
Dipole2.22Debye