MolCalc

On1oo1

Thermodynamics

Enthalpy
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational62.08kJ mol-1
Total (Trans. + Rot. + Vib.)71.99kJ mol-1
Heat Capacity at Constant Pressure
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational33.01J mol-1 K-1
Total (Trans. + Rot. + Vib.)66.27J mol-1 K-1
Entropy
Translational160.42J mol-1 K-1
Rotational96.54J mol-1 K-1
Vibrational23.59J mol-1 K-1
Total (Trans. + Rot. + Vib.)280.55J mol-1 K-1
Other properties
Heat of Formation236.69kJ mol-1


  5  5  0  0  0  0  0  0  0  0999 V2000
   -0.4423    0.4394    0.0311 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7066    1.2293   -0.1972 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7758   -0.0979   -1.1860 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7329   -0.2264    0.4364 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7283   -0.0947   -1.1811 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  1  3  1  0
  1  4  1  0
  2  4  1  0
  5  3  1  0
M  END

Vibrational Frequencies

Molecular Orbitals

Polarity and Solvations