1-isothiocyanato-4-[(s)-methylsulfinyl]butane

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational451.49kJ mol-1
Total (Trans. + Rot. + Vib.)461.40kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational155.88J mol-1 K-1
Total (Trans. + Rot. + Vib.)189.14J mol-1 K-1
Entropy
PropertyValueUnit
Translational173.30J mol-1 K-1
Rotational132.88J mol-1 K-1
Vibrational186.53J mol-1 K-1
Total (Trans. + Rot. + Vib.)492.71J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-14.58kJ mol-1

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-30.66kJ mol-1
Polar Solvation Energy-62.86kJ mol-1
Nonpolar Solvation Energy32.23kJ mol-1
Surface Area162.72Å2
Charge of Molecule0
Dipole7.05Debye