Benzene-1,3-diamine

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational352.38kJ mol-1
Total (Trans. + Rot. + Vib.)362.29kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational87.13J mol-1 K-1
Total (Trans. + Rot. + Vib.)120.38J mol-1 K-1
Entropy
PropertyValueUnit
Translational167.15J mol-1 K-1
Rotational117.41J mol-1 K-1
Vibrational53.60J mol-1 K-1
Total (Trans. + Rot. + Vib.)338.15J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation116.17kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 14.76 cm-1 View
  • 2 20.40 cm-1 View
  • 3 192.05 cm-1 View
  • 4 192.45 cm-1 View
  • 5 332.13 cm-1 View
  • 6 373.33 cm-1 View
  • 7 375.58 cm-1 View
  • 8 412.81 cm-1 View
  • 9 478.24 cm-1 View
  • 10 525.18 cm-1 View
  • 11 556.73 cm-1 View
  • 12 578.09 cm-1 View
  • 13 624.97 cm-1 View
  • 14 789.70 cm-1 View
  • 15 794.18 cm-1 View
  • 16 873.92 cm-1 View
  • 17 883.60 cm-1 View
  • 18 980.15 cm-1 View
  • 19 1017.94 cm-1 View
  • 20 1032.47 cm-1 View
  • 21 1080.82 cm-1 View
  • 22 1097.27 cm-1 View
  • 23 1142.60 cm-1 View
  • 24 1177.62 cm-1 View
  • 25 1249.56 cm-1 View
  • 26 1258.97 cm-1 View
  • 27 1374.12 cm-1 View
  • 28 1460.02 cm-1 View
  • 29 1573.73 cm-1 View
  • 30 1578.10 cm-1 View
  • 31 1629.00 cm-1 View
  • 32 1630.43 cm-1 View
  • 33 1763.01 cm-1 View
  • 34 1781.60 cm-1 View
  • 35 3051.85 cm-1 View
  • 36 3052.83 cm-1 View
  • 37 3065.45 cm-1 View
  • 38 3075.02 cm-1 View
  • 39 3499.85 cm-1 View
  • 40 3499.90 cm-1 View
  • 41 3555.42 cm-1 View
  • 42 3555.48 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-7.75kJ mol-1
Polar Solvation Energy-16.65kJ mol-1
Nonpolar Solvation Energy8.90kJ mol-1
Surface Area111.25Å2
Charge of Molecule0
Dipole2.07Debye