Butan-1-ol

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational364.96kJ mol-1
Total (Trans. + Rot. + Vib.)374.87kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational72.51J mol-1 K-1
Total (Trans. + Rot. + Vib.)105.77J mol-1 K-1
Entropy
PropertyValueUnit
Translational162.44J mol-1 K-1
Rotational108.46J mol-1 K-1
Vibrational64.45J mol-1 K-1
Total (Trans. + Rot. + Vib.)335.35J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-290.28kJ mol-1

Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 90.43 cm-1 View
  • 2 97.36 cm-1 View
  • 3 197.80 cm-1 View
  • 4 223.03 cm-1 View
  • 5 329.83 cm-1 View
  • 6 424.47 cm-1 View
  • 7 479.54 cm-1 View
  • 8 769.31 cm-1 View
  • 9 841.25 cm-1 View
  • 10 945.75 cm-1 View
  • 11 958.50 cm-1 View
  • 12 1025.69 cm-1 View
  • 13 1092.85 cm-1 View
  • 14 1114.33 cm-1 View
  • 15 1117.14 cm-1 View
  • 16 1135.12 cm-1 View
  • 17 1146.62 cm-1 View
  • 18 1149.04 cm-1 View
  • 19 1163.00 cm-1 View
  • 20 1233.71 cm-1 View
  • 21 1332.64 cm-1 View
  • 22 1369.37 cm-1 View
  • 23 1379.12 cm-1 View
  • 24 1389.67 cm-1 View
  • 25 1408.53 cm-1 View
  • 26 1408.71 cm-1 View
  • 27 1411.48 cm-1 View
  • 28 1420.98 cm-1 View
  • 29 1433.89 cm-1 View
  • 30 2932.70 cm-1 View
  • 31 2947.84 cm-1 View
  • 32 2959.91 cm-1 View
  • 33 3025.85 cm-1 View
  • 34 3032.61 cm-1 View
  • 35 3035.68 cm-1 View
  • 36 3078.85 cm-1 View
  • 37 3085.09 cm-1 View
  • 38 3181.82 cm-1 View
  • 39 3887.39 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy7.13kJ mol-1
Polar Solvation Energy-9.99kJ mol-1
Nonpolar Solvation Energy17.14kJ mol-1
Surface Area84.01Å2
Charge of Molecule0
Dipole1.79Debye