(2r)-3-sulfanylpropane-1,2-diol

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational299.65kJ mol-1
Total (Trans. + Rot. + Vib.)309.56kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational89.94J mol-1 K-1
Total (Trans. + Rot. + Vib.)123.19J mol-1 K-1
Entropy
PropertyValueUnit
Translational167.14J mol-1 K-1
Rotational116.45J mol-1 K-1
Vibrational82.37J mol-1 K-1
Total (Trans. + Rot. + Vib.)365.97J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-396.40kJ mol-1

Molecular Orbitals


Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-12.07kJ mol-1
Polar Solvation Energy-27.83kJ mol-1
Nonpolar Solvation Energy15.80kJ mol-1
Surface Area112.77Å2
Charge of Molecule0
Dipole1.70Debye