2-oxopyran-3-carboxylic acid

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational265.65kJ mol-1
Total (Trans. + Rot. + Vib.)275.56kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational101.89J mol-1 K-1
Total (Trans. + Rot. + Vib.)135.15J mol-1 K-1
Entropy
PropertyValueUnit
Translational170.38J mol-1 K-1
Rotational122.73J mol-1 K-1
Vibrational88.87J mol-1 K-1
Total (Trans. + Rot. + Vib.)381.98J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-575.58kJ mol-1

Molecular Orbitals


Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-30.05kJ mol-1
Polar Solvation Energy-39.43kJ mol-1
Nonpolar Solvation Energy9.36kJ mol-1
Surface Area130.79Å2
Charge of Molecule0
Dipole6.09Debye