Butan-1-ol

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational364.01kJ mol-1
Total (Trans. + Rot. + Vib.)373.93kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational73.73J mol-1 K-1
Total (Trans. + Rot. + Vib.)106.98J mol-1 K-1
Entropy
PropertyValueUnit
Translational162.44J mol-1 K-1
Rotational108.40J mol-1 K-1
Vibrational69.01J mol-1 K-1
Total (Trans. + Rot. + Vib.)339.85J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-282.46kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 86.98 cm-1 View
  • 2 96.68 cm-1 View
  • 3 191.33 cm-1 View
  • 4 197.01 cm-1 View
  • 5 223.82 cm-1 View
  • 6 425.07 cm-1 View
  • 7 463.38 cm-1 View
  • 8 768.74 cm-1 View
  • 9 844.15 cm-1 View
  • 10 948.54 cm-1 View
  • 11 955.33 cm-1 View
  • 12 1040.42 cm-1 View
  • 13 1080.72 cm-1 View
  • 14 1110.73 cm-1 View
  • 15 1119.58 cm-1 View
  • 16 1135.44 cm-1 View
  • 17 1147.52 cm-1 View
  • 18 1153.96 cm-1 View
  • 19 1154.37 cm-1 View
  • 20 1227.71 cm-1 View
  • 21 1296.89 cm-1 View
  • 22 1355.75 cm-1 View
  • 23 1379.76 cm-1 View
  • 24 1388.65 cm-1 View
  • 25 1408.30 cm-1 View
  • 26 1411.49 cm-1 View
  • 27 1417.74 cm-1 View
  • 28 1422.63 cm-1 View
  • 29 1437.16 cm-1 View
  • 30 2908.02 cm-1 View
  • 31 2948.18 cm-1 View
  • 32 2962.87 cm-1 View
  • 33 2968.95 cm-1 View
  • 34 3032.15 cm-1 View
  • 35 3040.47 cm-1 View
  • 36 3079.13 cm-1 View
  • 37 3085.03 cm-1 View
  • 38 3181.80 cm-1 View
  • 39 3909.09 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy7.60kJ mol-1
Polar Solvation Energy-10.66kJ mol-1
Nonpolar Solvation Energy18.27kJ mol-1
Surface Area89.75Å2
Charge of Molecule0
Dipole1.67Debye