MolCalc

O

Thermodynamics

Enthalpy
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational57.43kJ mol-1
Total (Trans. + Rot. + Vib.)67.34kJ mol-1
Heat Capacity at Constant Pressure
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational0.13J mol-1 K-1
Total (Trans. + Rot. + Vib.)33.39J mol-1 K-1
Entropy
Translational144.80J mol-1 K-1
Rotational49.18J mol-1 K-1
Vibrational0.02J mol-1 K-1
Total (Trans. + Rot. + Vib.)194.00J mol-1 K-1
Other properties
Heat of Formation-223.54kJ mol-1


  3  2  0  0  0  0  0  0  0  0999 V2000
   -3.5517    1.7849   -1.0283 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4018    2.1897   -1.8756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8683    2.0856   -0.4394 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0
  2  1  1  0
M  END

Vibrational Frequencies

Molecular Orbitals

Polarity and Solvations