(2r,3s)-2,3-dibromobutane

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational305.97kJ mol-1
Total (Trans. + Rot. + Vib.)315.88kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational88.00J mol-1 K-1
Total (Trans. + Rot. + Vib.)121.26J mol-1 K-1
Entropy
PropertyValueUnit
Translational175.66J mol-1 K-1
Rotational125.35J mol-1 K-1
Vibrational82.75J mol-1 K-1
Total (Trans. + Rot. + Vib.)383.76J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-89.01kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 52.81 cm-1 View
  • 2 154.11 cm-1 View
  • 3 187.69 cm-1 View
  • 4 206.52 cm-1 View
  • 5 212.50 cm-1 View
  • 6 303.13 cm-1 View
  • 7 322.52 cm-1 View
  • 8 333.02 cm-1 View
  • 9 503.30 cm-1 View
  • 10 654.31 cm-1 View
  • 11 692.75 cm-1 View
  • 12 912.22 cm-1 View
  • 13 981.55 cm-1 View
  • 14 1010.22 cm-1 View
  • 15 1022.87 cm-1 View
  • 16 1117.42 cm-1 View
  • 17 1123.82 cm-1 View
  • 18 1148.44 cm-1 View
  • 19 1160.23 cm-1 View
  • 20 1208.51 cm-1 View
  • 21 1226.62 cm-1 View
  • 22 1366.19 cm-1 View
  • 23 1381.90 cm-1 View
  • 24 1383.05 cm-1 View
  • 25 1395.06 cm-1 View
  • 26 1397.22 cm-1 View
  • 27 1410.10 cm-1 View
  • 28 1455.71 cm-1 View
  • 29 2958.23 cm-1 View
  • 30 2964.53 cm-1 View
  • 31 3073.42 cm-1 View
  • 32 3073.49 cm-1 View
  • 33 3083.96 cm-1 View
  • 34 3084.07 cm-1 View
  • 35 3170.65 cm-1 View
  • 36 3170.71 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy26.17kJ mol-1
Polar Solvation Energy-14.71kJ mol-1
Nonpolar Solvation Energy40.88kJ mol-1
Surface Area142.73Å2
Charge of Molecule0
Dipole0.00Debye