3-isothiocyanatoprop-1-ene
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 | 218.47 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 228.38 | 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 | 68.58 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 101.84 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 166.06 | J mol-1 K-1 |
| Rotational | 115.91 | J mol-1 K-1 |
| Vibrational | 72.83 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 354.80 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 230.50 | 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 | -6.32 | kJ mol-1 |
| Polar Solvation Energy | -24.01 | kJ mol-1 |
| Nonpolar Solvation Energy | 17.68 | kJ mol-1 |
| Surface Area | 121.92 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 5.83 | Debye |