Pentanal

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational378.63kJ mol-1
Total (Trans. + Rot. + Vib.)388.54kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational82.60J mol-1 K-1
Total (Trans. + Rot. + Vib.)115.86J mol-1 K-1
Entropy
PropertyValueUnit
Translational164.31J mol-1 K-1
Rotational112.91J mol-1 K-1
Vibrational83.88J mol-1 K-1
Total (Trans. + Rot. + Vib.)361.10J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-251.27kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 57.76 cm-1 View
  • 2 85.47 cm-1 View
  • 3 101.22 cm-1 View
  • 4 195.00 cm-1 View
  • 5 197.95 cm-1 View
  • 6 383.94 cm-1 View
  • 7 407.02 cm-1 View
  • 8 554.86 cm-1 View
  • 9 757.82 cm-1 View
  • 10 803.81 cm-1 View
  • 11 886.56 cm-1 View
  • 12 957.75 cm-1 View
  • 13 967.22 cm-1 View
  • 14 1039.30 cm-1 View
  • 15 1103.58 cm-1 View
  • 16 1120.10 cm-1 View
  • 17 1123.63 cm-1 View
  • 18 1139.59 cm-1 View
  • 19 1148.01 cm-1 View
  • 20 1154.54 cm-1 View
  • 21 1156.38 cm-1 View
  • 22 1202.15 cm-1 View
  • 23 1241.16 cm-1 View
  • 24 1327.81 cm-1 View
  • 25 1380.37 cm-1 View
  • 26 1384.28 cm-1 View
  • 27 1407.99 cm-1 View
  • 28 1408.79 cm-1 View
  • 29 1410.83 cm-1 View
  • 30 1418.62 cm-1 View
  • 31 1434.18 cm-1 View
  • 32 1984.96 cm-1 View
  • 33 2929.36 cm-1 View
  • 34 2942.32 cm-1 View
  • 35 2954.58 cm-1 View
  • 36 2960.30 cm-1 View
  • 37 3028.79 cm-1 View
  • 38 3034.00 cm-1 View
  • 39 3035.05 cm-1 View
  • 40 3079.03 cm-1 View
  • 41 3085.26 cm-1 View
  • 42 3181.96 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy5.35kJ mol-1
Polar Solvation Energy-14.88kJ mol-1
Nonpolar Solvation Energy20.23kJ mol-1
Surface Area105.53Å2
Charge of Molecule0
Dipole3.13Debye