Butan-1-ol

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational364.98kJ mol-1
Total (Trans. + Rot. + Vib.)374.89kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational72.45J mol-1 K-1
Total (Trans. + Rot. + Vib.)105.71J mol-1 K-1
Entropy
PropertyValueUnit
Translational162.44J mol-1 K-1
Rotational108.46J mol-1 K-1
Vibrational63.97J mol-1 K-1
Total (Trans. + Rot. + Vib.)334.87J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-290.32kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 91.52 cm-1 View
  • 2 100.46 cm-1 View
  • 3 198.93 cm-1 View
  • 4 223.15 cm-1 View
  • 5 333.38 cm-1 View
  • 6 424.53 cm-1 View
  • 7 479.61 cm-1 View
  • 8 769.76 cm-1 View
  • 9 841.55 cm-1 View
  • 10 945.77 cm-1 View
  • 11 958.49 cm-1 View
  • 12 1025.84 cm-1 View
  • 13 1092.76 cm-1 View
  • 14 1114.39 cm-1 View
  • 15 1117.19 cm-1 View
  • 16 1135.14 cm-1 View
  • 17 1146.61 cm-1 View
  • 18 1149.01 cm-1 View
  • 19 1163.09 cm-1 View
  • 20 1233.67 cm-1 View
  • 21 1332.73 cm-1 View
  • 22 1369.47 cm-1 View
  • 23 1379.49 cm-1 View
  • 24 1389.71 cm-1 View
  • 25 1408.76 cm-1 View
  • 26 1408.83 cm-1 View
  • 27 1411.33 cm-1 View
  • 28 1421.04 cm-1 View
  • 29 1433.90 cm-1 View
  • 30 2932.77 cm-1 View
  • 31 2947.89 cm-1 View
  • 32 2959.89 cm-1 View
  • 33 3025.75 cm-1 View
  • 34 3032.66 cm-1 View
  • 35 3035.63 cm-1 View
  • 36 3079.09 cm-1 View
  • 37 3084.91 cm-1 View
  • 38 3181.85 cm-1 View
  • 39 3885.94 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy3.77kJ mol-1
Polar Solvation Energy-10.19kJ mol-1
Nonpolar Solvation Energy13.96kJ mol-1
Surface Area95.90Å2
Charge of Molecule0
Dipole1.79Debye