4-nitrophenol

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational298.75kJ mol-1
Total (Trans. + Rot. + Vib.)308.66kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational101.10J mol-1 K-1
Total (Trans. + Rot. + Vib.)134.36J mol-1 K-1
Entropy
PropertyValueUnit
Translational170.29J mol-1 K-1
Rotational123.03J mol-1 K-1
Vibrational85.80J mol-1 K-1
Total (Trans. + Rot. + Vib.)379.11J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-132.36kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 34.32 cm-1 View
  • 2 100.02 cm-1 View
  • 3 222.94 cm-1 View
  • 4 283.34 cm-1 View
  • 5 343.93 cm-1 View
  • 6 368.10 cm-1 View
  • 7 372.22 cm-1 View
  • 8 422.43 cm-1 View
  • 9 490.49 cm-1 View
  • 10 543.81 cm-1 View
  • 11 625.91 cm-1 View
  • 12 642.65 cm-1 View
  • 13 644.39 cm-1 View
  • 14 772.63 cm-1 View
  • 15 793.60 cm-1 View
  • 16 841.62 cm-1 View
  • 17 892.11 cm-1 View
  • 18 962.32 cm-1 View
  • 19 983.96 cm-1 View
  • 20 1010.81 cm-1 View
  • 21 1063.30 cm-1 View
  • 22 1155.10 cm-1 View
  • 23 1184.24 cm-1 View
  • 24 1218.27 cm-1 View
  • 25 1228.30 cm-1 View
  • 26 1296.47 cm-1 View
  • 27 1400.77 cm-1 View
  • 28 1434.72 cm-1 View
  • 29 1568.78 cm-1 View
  • 30 1602.58 cm-1 View
  • 31 1621.82 cm-1 View
  • 32 1769.52 cm-1 View
  • 33 1785.98 cm-1 View
  • 34 1890.45 cm-1 View
  • 35 3024.31 cm-1 View
  • 36 3026.81 cm-1 View
  • 37 3057.31 cm-1 View
  • 38 3063.49 cm-1 View
  • 39 3878.94 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-32.08kJ mol-1
Polar Solvation Energy-40.94kJ mol-1
Nonpolar Solvation Energy8.82kJ mol-1
Surface Area126.28Å2
Charge of Molecule0
Dipole6.66Debye