1-nitroethene

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational148.61kJ mol-1
Total (Trans. + Rot. + Vib.)158.52kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational40.13J mol-1 K-1
Total (Trans. + Rot. + Vib.)73.39J mol-1 K-1
Entropy
PropertyValueUnit
Translational162.26J mol-1 K-1
Rotational104.64J mol-1 K-1
Vibrational30.99J mol-1 K-1
Total (Trans. + Rot. + Vib.)297.88J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation29.94kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 84.72 cm-1 View
  • 2 310.01 cm-1 View
  • 3 505.92 cm-1 View
  • 4 551.91 cm-1 View
  • 5 640.94 cm-1 View
  • 6 771.83 cm-1 View
  • 7 901.20 cm-1 View
  • 8 949.25 cm-1 View
  • 9 1072.99 cm-1 View
  • 10 1081.16 cm-1 View
  • 11 1213.84 cm-1 View
  • 12 1324.47 cm-1 View
  • 13 1604.86 cm-1 View
  • 14 1819.08 cm-1 View
  • 15 1901.94 cm-1 View
  • 16 2997.92 cm-1 View
  • 17 3109.91 cm-1 View
  • 18 3129.30 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-22.86kJ mol-1
Polar Solvation Energy-36.08kJ mol-1
Nonpolar Solvation Energy13.21kJ mol-1
Surface Area81.60Å2
Charge of Molecule0
Dipole5.48Debye