Molecule Viewer
Thermodynamics at 298.15 K and standard pressure
| Enthalpy | ||
| Property | Value | Unit |
| Translational | 6.20 | kJ mol-1 |
| Rotational | 2.48 | kJ mol-1 |
| Vibrational | 19.05 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 27.73 | kJ mol-1 |
| Heat Capacity at Constant Pressure | ||
| Property | Value | Unit |
| Translational | 20.79 | J mol-1 K-1 |
| Rotational | 8.31 | J mol-1 K-1 |
| Vibrational | 15.42 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 44.52 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 162.75 | J mol-1 K-1 |
| Rotational | 70.28 | J mol-1 K-1 |
| Vibrational | 7.73 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 240.76 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 154.39 | kJ mol-1 |
Molecular Orbitals
- 1 -2474.94 eV View
- 2 -2474.94 eV View
- 3 -304.57 eV View
- 4 -240.35 eV View
- 5 -240.34 eV View
- 6 -176.06 eV View
- 7 -176.05 eV View
- 8 -175.90 eV View
- 9 -175.90 eV View
- 10 -175.89 eV View
- 11 -175.89 eV View
- 12 -30.79 eV View
- 13 -27.04 eV View
- 14 -16.35 eV View
- 15 -14.22 eV View
- 16 -14.22 eV View
- 17 -14.15 eV View
- 18 -8.84 eV View
- 19 -8.84 eV View
- 20 4.98 eV View
- 21 4.98 eV View
- 22 12.78 eV View
- 23 20.56 eV View
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 | 3.52 | kJ mol-1 |
| Polar Solvation Energy | -5.48 | kJ mol-1 |
| Nonpolar Solvation Energy | 9.03 | kJ mol-1 |
| Surface Area | 94.07 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.00 | Debye |