Benzaldehyde

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational294.83kJ mol-1
Total (Trans. + Rot. + Vib.)304.75kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational76.83J mol-1 K-1
Total (Trans. + Rot. + Vib.)110.09J mol-1 K-1
Entropy
PropertyValueUnit
Translational166.91J mol-1 K-1
Rotational116.62J mol-1 K-1
Vibrational56.68J mol-1 K-1
Total (Trans. + Rot. + Vib.)340.21J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-44.50kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 66.98 cm-1 View
  • 2 192.03 cm-1 View
  • 3 243.24 cm-1 View
  • 4 356.97 cm-1 View
  • 5 443.89 cm-1 View
  • 6 461.61 cm-1 View
  • 7 627.20 cm-1 View
  • 8 635.37 cm-1 View
  • 9 640.62 cm-1 View
  • 10 763.26 cm-1 View
  • 11 851.45 cm-1 View
  • 12 869.54 cm-1 View
  • 13 917.40 cm-1 View
  • 14 982.86 cm-1 View
  • 15 988.55 cm-1 View
  • 16 1028.03 cm-1 View
  • 17 1042.09 cm-1 View
  • 18 1104.89 cm-1 View
  • 19 1113.81 cm-1 View
  • 20 1154.00 cm-1 View
  • 21 1157.64 cm-1 View
  • 22 1208.61 cm-1 View
  • 23 1232.09 cm-1 View
  • 24 1320.82 cm-1 View
  • 25 1352.51 cm-1 View
  • 26 1541.45 cm-1 View
  • 27 1592.72 cm-1 View
  • 28 1782.34 cm-1 View
  • 29 1794.79 cm-1 View
  • 30 1973.12 cm-1 View
  • 31 2922.37 cm-1 View
  • 32 3045.05 cm-1 View
  • 33 3046.75 cm-1 View
  • 34 3056.99 cm-1 View
  • 35 3066.74 cm-1 View
  • 36 3077.63 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy1.96kJ mol-1
Polar Solvation Energy-15.62kJ mol-1
Nonpolar Solvation Energy17.60kJ mol-1
Surface Area99.73Å2
Charge of Molecule0
Dipole3.48Debye