Ethyl acetate

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational316.86kJ mol-1
Total (Trans. + Rot. + Vib.)326.77kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational79.18J mol-1 K-1
Total (Trans. + Rot. + Vib.)112.43J mol-1 K-1
Entropy
PropertyValueUnit
Translational164.59J mol-1 K-1
Rotational112.06J mol-1 K-1
Vibrational81.67J mol-1 K-1
Total (Trans. + Rot. + Vib.)358.32J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-413.37kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 69.20 cm-1 View
  • 2 75.98 cm-1 View
  • 3 120.22 cm-1 View
  • 4 183.56 cm-1 View
  • 5 201.74 cm-1 View
  • 6 386.75 cm-1 View
  • 7 424.94 cm-1 View
  • 8 565.16 cm-1 View
  • 9 609.30 cm-1 View
  • 10 836.20 cm-1 View
  • 11 910.61 cm-1 View
  • 12 990.65 cm-1 View
  • 13 1006.29 cm-1 View
  • 14 1017.23 cm-1 View
  • 15 1042.18 cm-1 View
  • 16 1114.80 cm-1 View
  • 17 1131.56 cm-1 View
  • 18 1152.42 cm-1 View
  • 19 1312.07 cm-1 View
  • 20 1341.93 cm-1 View
  • 21 1362.22 cm-1 View
  • 22 1383.27 cm-1 View
  • 23 1387.99 cm-1 View
  • 24 1402.13 cm-1 View
  • 25 1407.44 cm-1 View
  • 26 1410.23 cm-1 View
  • 27 1422.19 cm-1 View
  • 28 1972.74 cm-1 View
  • 29 2939.44 cm-1 View
  • 30 2992.45 cm-1 View
  • 31 3084.32 cm-1 View
  • 32 3086.17 cm-1 View
  • 33 3088.79 cm-1 View
  • 34 3090.49 cm-1 View
  • 35 3176.99 cm-1 View
  • 36 3184.55 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy1.35kJ mol-1
Polar Solvation Energy-17.20kJ mol-1
Nonpolar Solvation Energy18.56kJ mol-1
Surface Area100.37Å2
Charge of Molecule0
Dipole2.37Debye