But-1-ene

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational287.00kJ mol-1
Total (Trans. + Rot. + Vib.)296.92kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational50.20J mol-1 K-1
Total (Trans. + Rot. + Vib.)83.45J mol-1 K-1
Entropy
PropertyValueUnit
Translational158.96J mol-1 K-1
Rotational101.19J mol-1 K-1
Vibrational40.56J mol-1 K-1
Total (Trans. + Rot. + Vib.)300.71J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation6.00kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 74.46 cm-1 View
  • 2 183.67 cm-1 View
  • 3 350.85 cm-1 View
  • 4 456.87 cm-1 View
  • 5 624.98 cm-1 View
  • 6 829.71 cm-1 View
  • 7 910.54 cm-1 View
  • 8 930.35 cm-1 View
  • 9 978.84 cm-1 View
  • 10 1007.70 cm-1 View
  • 11 1052.32 cm-1 View
  • 12 1116.71 cm-1 View
  • 13 1130.00 cm-1 View
  • 14 1183.39 cm-1 View
  • 15 1212.77 cm-1 View
  • 16 1305.48 cm-1 View
  • 17 1358.08 cm-1 View
  • 18 1406.77 cm-1 View
  • 19 1407.69 cm-1 View
  • 20 1412.02 cm-1 View
  • 21 1421.95 cm-1 View
  • 22 1862.60 cm-1 View
  • 23 2947.60 cm-1 View
  • 24 3027.16 cm-1 View
  • 25 3041.92 cm-1 View
  • 26 3081.14 cm-1 View
  • 27 3086.08 cm-1 View
  • 28 3135.17 cm-1 View
  • 29 3148.04 cm-1 View
  • 30 3182.95 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy10.69kJ mol-1
Polar Solvation Energy-1.71kJ mol-1
Nonpolar Solvation Energy12.41kJ mol-1
Surface Area85.68Å2
Charge of Molecule0
Dipole0.25Debye