Hexan-1-ol

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational518.82kJ mol-1
Total (Trans. + Rot. + Vib.)528.74kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational111.46J mol-1 K-1
Total (Trans. + Rot. + Vib.)144.72J mol-1 K-1
Entropy
PropertyValueUnit
Translational166.44J mol-1 K-1
Rotational118.37J mol-1 K-1
Vibrational105.20J mol-1 K-1
Total (Trans. + Rot. + Vib.)390.01J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-333.33kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 50.57 cm-1 View
  • 2 92.98 cm-1 View
  • 3 95.92 cm-1 View
  • 4 172.81 cm-1 View
  • 5 207.82 cm-1 View
  • 6 260.75 cm-1 View
  • 7 279.39 cm-1 View
  • 8 338.79 cm-1 View
  • 9 341.36 cm-1 View
  • 10 484.31 cm-1 View
  • 11 571.14 cm-1 View
  • 12 777.63 cm-1 View
  • 13 808.99 cm-1 View
  • 14 875.74 cm-1 View
  • 15 916.83 cm-1 View
  • 16 922.95 cm-1 View
  • 17 984.48 cm-1 View
  • 18 994.16 cm-1 View
  • 19 1038.14 cm-1 View
  • 20 1072.45 cm-1 View
  • 21 1100.99 cm-1 View
  • 22 1117.06 cm-1 View
  • 23 1125.89 cm-1 View
  • 24 1132.32 cm-1 View
  • 25 1146.86 cm-1 View
  • 26 1152.65 cm-1 View
  • 27 1163.03 cm-1 View
  • 28 1168.95 cm-1 View
  • 29 1215.20 cm-1 View
  • 30 1251.40 cm-1 View
  • 31 1293.53 cm-1 View
  • 32 1337.98 cm-1 View
  • 33 1365.41 cm-1 View
  • 34 1379.18 cm-1 View
  • 35 1384.91 cm-1 View
  • 36 1391.43 cm-1 View
  • 37 1403.98 cm-1 View
  • 38 1408.01 cm-1 View
  • 39 1411.56 cm-1 View
  • 40 1415.19 cm-1 View
  • 41 1418.06 cm-1 View
  • 42 1418.81 cm-1 View
  • 43 1438.36 cm-1 View
  • 44 2909.56 cm-1 View
  • 45 2927.37 cm-1 View
  • 46 2938.31 cm-1 View
  • 47 2952.48 cm-1 View
  • 48 2958.95 cm-1 View
  • 49 3010.12 cm-1 View
  • 50 3018.21 cm-1 View
  • 51 3025.33 cm-1 View
  • 52 3032.85 cm-1 View
  • 53 3038.21 cm-1 View
  • 54 3077.90 cm-1 View
  • 55 3084.31 cm-1 View
  • 56 3180.94 cm-1 View
  • 57 3886.18 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy12.78kJ mol-1
Polar Solvation Energy-10.05kJ mol-1
Nonpolar Solvation Energy22.82kJ mol-1
Surface Area109.32Å2
Charge of Molecule0
Dipole1.81Debye