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.)374.88kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational72.49J mol-1 K-1
Total (Trans. + Rot. + Vib.)105.75J mol-1 K-1
Entropy
PropertyValueUnit
Translational162.44J mol-1 K-1
Rotational108.46J mol-1 K-1
Vibrational64.41J mol-1 K-1
Total (Trans. + Rot. + Vib.)335.31J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-290.29kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 90.35 cm-1 View
  • 2 97.23 cm-1 View
  • 3 197.74 cm-1 View
  • 4 223.13 cm-1 View
  • 5 332.36 cm-1 View
  • 6 424.53 cm-1 View
  • 7 479.59 cm-1 View
  • 8 769.13 cm-1 View
  • 9 841.24 cm-1 View
  • 10 945.81 cm-1 View
  • 11 958.55 cm-1 View
  • 12 1025.95 cm-1 View
  • 13 1092.75 cm-1 View
  • 14 1114.35 cm-1 View
  • 15 1117.14 cm-1 View
  • 16 1135.13 cm-1 View
  • 17 1146.64 cm-1 View
  • 18 1149.06 cm-1 View
  • 19 1163.08 cm-1 View
  • 20 1233.73 cm-1 View
  • 21 1332.71 cm-1 View
  • 22 1369.45 cm-1 View
  • 23 1379.38 cm-1 View
  • 24 1389.69 cm-1 View
  • 25 1408.68 cm-1 View
  • 26 1408.77 cm-1 View
  • 27 1411.37 cm-1 View
  • 28 1421.06 cm-1 View
  • 29 1433.85 cm-1 View
  • 30 2932.68 cm-1 View
  • 31 2947.90 cm-1 View
  • 32 2959.91 cm-1 View
  • 33 3025.77 cm-1 View
  • 34 3032.71 cm-1 View
  • 35 3035.67 cm-1 View
  • 36 3079.11 cm-1 View
  • 37 3084.87 cm-1 View
  • 38 3181.82 cm-1 View
  • 39 3886.11 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy4.46kJ mol-1
Polar Solvation Energy-10.34kJ mol-1
Nonpolar Solvation Energy14.80kJ mol-1
Surface Area91.73Å2
Charge of Molecule0
Dipole1.79Debye