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 | 135.39 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 145.31 | 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 | 29.46 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 62.72 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 158.27 | J mol-1 K-1 |
| Rotational | 96.96 | J mol-1 K-1 |
| Vibrational | 16.48 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 271.70 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 209.78 | kJ mol-1 |
Vibrational Frequencies
| Vibration |
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| Vectors |
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| Balls |
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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 | -5.04 | kJ mol-1 |
| Polar Solvation Energy | -15.60 | kJ mol-1 |
| Nonpolar Solvation Energy | 10.58 | kJ mol-1 |
| Surface Area | 81.48 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 4.21 | Debye |