1-isothiocyanato-4-[(s)-methylsulfinyl]butane
Molecule Viewer
Thermodynamics at 298.15 K and standard pressure
| Enthalpy | ||
| Property | Value | Unit |
| Translational | 6.20 | kJ mol-1 |
| Rotational | 3.72 | kJ mol-1 |
| Vibrational | 451.49 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 461.40 | kJ mol-1 |
| Heat Capacity at Constant Pressure | ||
| Property | Value | Unit |
| Translational | 20.79 | J mol-1 K-1 |
| Rotational | 12.47 | J mol-1 K-1 |
| Vibrational | 155.88 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 189.14 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 173.30 | J mol-1 K-1 |
| Rotational | 132.88 | J mol-1 K-1 |
| Vibrational | 186.53 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 492.71 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -14.58 | kJ mol-1 |
Aqueous Solvation Energy at 298.15 K
| Surface |
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| Dipole |
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| Translucent Molecule |
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| Property | Value | Unit |
| Total Solvation Energy | -30.66 | kJ mol-1 |
| Polar Solvation Energy | -62.86 | kJ mol-1 |
| Nonpolar Solvation Energy | 32.23 | kJ mol-1 |
| Surface Area | 162.72 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 7.05 | Debye |