Octan-1-ol

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational672.07kJ mol-1
Total (Trans. + Rot. + Vib.)681.98kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational153.81J mol-1 K-1
Total (Trans. + Rot. + Vib.)187.07J mol-1 K-1
Entropy
PropertyValueUnit
Translational169.46J mol-1 K-1
Rotational125.49J mol-1 K-1
Vibrational166.54J mol-1 K-1
Total (Trans. + Rot. + Vib.)461.49J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-380.91kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 42.70 cm-1 View
  • 2 61.90 cm-1 View
  • 3 78.60 cm-1 View
  • 4 83.64 cm-1 View
  • 5 97.42 cm-1 View
  • 6 124.69 cm-1 View
  • 7 128.70 cm-1 View
  • 8 196.16 cm-1 View
  • 9 198.04 cm-1 View
  • 10 260.26 cm-1 View
  • 11 329.10 cm-1 View
  • 12 340.48 cm-1 View
  • 13 454.27 cm-1 View
  • 14 494.29 cm-1 View
  • 15 552.65 cm-1 View
  • 16 755.74 cm-1 View
  • 17 768.65 cm-1 View
  • 18 797.39 cm-1 View
  • 19 843.89 cm-1 View
  • 20 900.66 cm-1 View
  • 21 954.26 cm-1 View
  • 22 957.92 cm-1 View
  • 23 993.54 cm-1 View
  • 24 1026.08 cm-1 View
  • 25 1079.20 cm-1 View
  • 26 1091.62 cm-1 View
  • 27 1111.84 cm-1 View
  • 28 1116.01 cm-1 View
  • 29 1117.23 cm-1 View
  • 30 1125.53 cm-1 View
  • 31 1126.89 cm-1 View
  • 32 1137.67 cm-1 View
  • 33 1145.47 cm-1 View
  • 34 1148.32 cm-1 View
  • 35 1149.63 cm-1 View
  • 36 1151.83 cm-1 View
  • 37 1164.73 cm-1 View
  • 38 1173.07 cm-1 View
  • 39 1173.54 cm-1 View
  • 40 1200.95 cm-1 View
  • 41 1237.85 cm-1 View
  • 42 1283.07 cm-1 View
  • 43 1332.18 cm-1 View
  • 44 1361.22 cm-1 View
  • 45 1377.53 cm-1 View
  • 46 1382.34 cm-1 View
  • 47 1385.39 cm-1 View
  • 48 1389.44 cm-1 View
  • 49 1405.47 cm-1 View
  • 50 1408.92 cm-1 View
  • 51 1409.50 cm-1 View
  • 52 1412.03 cm-1 View
  • 53 1413.92 cm-1 View
  • 54 1420.71 cm-1 View
  • 55 1423.54 cm-1 View
  • 56 1432.17 cm-1 View
  • 57 1438.86 cm-1 View
  • 58 2932.53 cm-1 View
  • 59 2936.63 cm-1 View
  • 60 2942.64 cm-1 View
  • 61 2949.57 cm-1 View
  • 62 2955.44 cm-1 View
  • 63 2958.92 cm-1 View
  • 64 2959.91 cm-1 View
  • 65 3025.51 cm-1 View
  • 66 3026.37 cm-1 View
  • 67 3028.58 cm-1 View
  • 68 3030.52 cm-1 View
  • 69 3030.83 cm-1 View
  • 70 3034.37 cm-1 View
  • 71 3034.65 cm-1 View
  • 72 3078.80 cm-1 View
  • 73 3084.82 cm-1 View
  • 74 3181.75 cm-1 View
  • 75 3886.82 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy28.32kJ mol-1
Polar Solvation Energy-10.76kJ mol-1
Nonpolar Solvation Energy39.08kJ mol-1
Surface Area139.65Å2
Charge of Molecule0
Dipole1.79Debye