Pyridine-4-carboxamide

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational313.65kJ mol-1
Total (Trans. + Rot. + Vib.)323.57kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational91.55J mol-1 K-1
Total (Trans. + Rot. + Vib.)124.81J mol-1 K-1
Entropy
PropertyValueUnit
Translational168.66J mol-1 K-1
Rotational120.05J mol-1 K-1
Vibrational74.89J mol-1 K-1
Total (Trans. + Rot. + Vib.)363.61J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-16.35kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 38.74 cm-1 View
  • 2 128.33 cm-1 View
  • 3 201.69 cm-1 View
  • 4 328.61 cm-1 View
  • 5 345.52 cm-1 View
  • 6 364.94 cm-1 View
  • 7 533.53 cm-1 View
  • 8 564.86 cm-1 View
  • 9 570.71 cm-1 View
  • 10 640.71 cm-1 View
  • 11 683.97 cm-1 View
  • 12 746.58 cm-1 View
  • 13 819.89 cm-1 View
  • 14 841.91 cm-1 View
  • 15 858.75 cm-1 View
  • 16 932.98 cm-1 View
  • 17 973.29 cm-1 View
  • 18 987.19 cm-1 View
  • 19 1032.33 cm-1 View
  • 20 1064.19 cm-1 View
  • 21 1091.62 cm-1 View
  • 22 1094.07 cm-1 View
  • 23 1124.33 cm-1 View
  • 24 1160.36 cm-1 View
  • 25 1202.41 cm-1 View
  • 26 1253.78 cm-1 View
  • 27 1399.56 cm-1 View
  • 28 1473.35 cm-1 View
  • 29 1600.41 cm-1 View
  • 30 1700.57 cm-1 View
  • 31 1748.42 cm-1 View
  • 32 1781.99 cm-1 View
  • 33 1935.19 cm-1 View
  • 34 3031.27 cm-1 View
  • 35 3034.81 cm-1 View
  • 36 3067.35 cm-1 View
  • 37 3070.81 cm-1 View
  • 38 3433.76 cm-1 View
  • 39 3536.93 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-16.95kJ mol-1
Polar Solvation Energy-31.41kJ mol-1
Nonpolar Solvation Energy14.42kJ mol-1
Surface Area117.63Å2
Charge of Molecule0
Dipole3.64Debye