(3r)-butane-1,3-diol

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational380.39kJ mol-1
Total (Trans. + Rot. + Vib.)390.30kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational87.36J mol-1 K-1
Total (Trans. + Rot. + Vib.)120.62J mol-1 K-1
Entropy
PropertyValueUnit
Translational164.87J mol-1 K-1
Rotational112.27J mol-1 K-1
Vibrational69.51J mol-1 K-1
Total (Trans. + Rot. + Vib.)346.66J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-450.65kJ mol-1

Molecular Orbitals


Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy1.58kJ mol-1
Polar Solvation Energy-19.07kJ mol-1
Nonpolar Solvation Energy20.65kJ mol-1
Surface Area89.61Å2
Charge of Molecule0
Dipole3.56Debye