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 | 605.93 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 615.84 | 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 | 115.31 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 148.56 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 170.30 | J mol-1 K-1 |
| Rotational | 120.35 | J mol-1 K-1 |
| Vibrational | 62.57 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 353.22 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 627.45 | 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 | -193.13 | kJ mol-1 |
| Polar Solvation Energy | -216.54 | kJ mol-1 |
| Nonpolar Solvation Energy | 23.41 | kJ mol-1 |
| Surface Area | 111.51 | Å2 |
| Charge of Molecule | 1 | |
| Dipole | 8.45 | Debye |