Propan-1-ol

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational288.15kJ mol-1
Total (Trans. + Rot. + Vib.)298.06kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational52.29J mol-1 K-1
Total (Trans. + Rot. + Vib.)85.54J mol-1 K-1
Entropy
PropertyValueUnit
Translational159.82J mol-1 K-1
Rotational101.75J mol-1 K-1
Vibrational42.07J mol-1 K-1
Total (Trans. + Rot. + Vib.)303.63J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-267.69kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 94.63 cm-1 View
  • 2 192.16 cm-1 View
  • 3 317.11 cm-1 View
  • 4 327.42 cm-1 View
  • 5 485.14 cm-1 View
  • 6 786.09 cm-1 View
  • 7 907.49 cm-1 View
  • 8 941.26 cm-1 View
  • 9 1024.29 cm-1 View
  • 10 1112.37 cm-1 View
  • 11 1120.39 cm-1 View
  • 12 1126.09 cm-1 View
  • 13 1137.91 cm-1 View
  • 14 1153.22 cm-1 View
  • 15 1277.03 cm-1 View
  • 16 1355.79 cm-1 View
  • 17 1377.43 cm-1 View
  • 18 1388.91 cm-1 View
  • 19 1408.21 cm-1 View
  • 20 1409.43 cm-1 View
  • 21 1410.90 cm-1 View
  • 22 1433.35 cm-1 View
  • 23 2934.01 cm-1 View
  • 24 2958.27 cm-1 View
  • 25 3026.53 cm-1 View
  • 26 3039.02 cm-1 View
  • 27 3078.89 cm-1 View
  • 28 3084.90 cm-1 View
  • 29 3181.54 cm-1 View
  • 30 3886.34 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy1.78kJ mol-1
Polar Solvation Energy-10.10kJ mol-1
Nonpolar Solvation Energy11.91kJ mol-1
Surface Area74.73Å2
Charge of Molecule0
Dipole1.78Debye