1-chlorobut-2-ene

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational266.43kJ mol-1
Total (Trans. + Rot. + Vib.)276.34kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational63.43J mol-1 K-1
Total (Trans. + Rot. + Vib.)96.69J mol-1 K-1
Entropy
PropertyValueUnit
Translational164.87J mol-1 K-1
Rotational111.66J mol-1 K-1
Vibrational60.30J mol-1 K-1
Total (Trans. + Rot. + Vib.)336.83J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-29.75kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 62.47 cm-1 View
  • 2 127.58 cm-1 View
  • 3 166.37 cm-1 View
  • 4 282.57 cm-1 View
  • 5 357.71 cm-1 View
  • 6 509.28 cm-1 View
  • 7 688.44 cm-1 View
  • 8 838.21 cm-1 View
  • 9 901.98 cm-1 View
  • 10 938.03 cm-1 View
  • 11 965.83 cm-1 View
  • 12 1029.85 cm-1 View
  • 13 1066.28 cm-1 View
  • 14 1150.06 cm-1 View
  • 15 1191.77 cm-1 View
  • 16 1201.48 cm-1 View
  • 17 1244.49 cm-1 View
  • 18 1299.33 cm-1 View
  • 19 1381.96 cm-1 View
  • 20 1393.57 cm-1 View
  • 21 1395.09 cm-1 View
  • 22 1429.53 cm-1 View
  • 23 1886.95 cm-1 View
  • 24 2997.10 cm-1 View
  • 25 3035.84 cm-1 View
  • 26 3042.53 cm-1 View
  • 27 3051.81 cm-1 View
  • 28 3070.86 cm-1 View
  • 29 3077.15 cm-1 View
  • 30 3170.10 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy0.00kJ mol-1
Polar Solvation Energy0.00kJ mol-1
Nonpolar Solvation Energy0.00kJ mol-1
Surface AreaÅ2
Charge of Molecule0
Dipole0.00Debye