2-nitrophenol

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational298.21kJ mol-1
Total (Trans. + Rot. + Vib.)308.12kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational102.45J mol-1 K-1
Total (Trans. + Rot. + Vib.)135.71J mol-1 K-1
Entropy
PropertyValueUnit
Translational170.29J mol-1 K-1
Rotational122.56J mol-1 K-1
Vibrational89.62J mol-1 K-1
Total (Trans. + Rot. + Vib.)382.47J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-119.17kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 33.20 cm-1 View
  • 2 113.36 cm-1 View
  • 3 194.50 cm-1 View
  • 4 211.43 cm-1 View
  • 5 303.80 cm-1 View
  • 6 339.66 cm-1 View
  • 7 353.72 cm-1 View
  • 8 464.34 cm-1 View
  • 9 477.28 cm-1 View
  • 10 549.44 cm-1 View
  • 11 563.21 cm-1 View
  • 12 659.58 cm-1 View
  • 13 747.63 cm-1 View
  • 14 769.38 cm-1 View
  • 15 787.31 cm-1 View
  • 16 831.19 cm-1 View
  • 17 886.53 cm-1 View
  • 18 898.41 cm-1 View
  • 19 965.76 cm-1 View
  • 20 1016.11 cm-1 View
  • 21 1105.41 cm-1 View
  • 22 1118.47 cm-1 View
  • 23 1157.79 cm-1 View
  • 24 1195.55 cm-1 View
  • 25 1240.63 cm-1 View
  • 26 1297.57 cm-1 View
  • 27 1360.93 cm-1 View
  • 28 1417.40 cm-1 View
  • 29 1574.77 cm-1 View
  • 30 1610.76 cm-1 View
  • 31 1614.84 cm-1 View
  • 32 1783.83 cm-1 View
  • 33 1795.09 cm-1 View
  • 34 1900.29 cm-1 View
  • 35 3042.69 cm-1 View
  • 36 3048.74 cm-1 View
  • 37 3059.58 cm-1 View
  • 38 3072.30 cm-1 View
  • 39 3881.97 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-29.16kJ mol-1
Polar Solvation Energy-41.66kJ mol-1
Nonpolar Solvation Energy12.50kJ mol-1
Surface Area125.09Å2
Charge of Molecule0
Dipole7.20Debye