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 | 50.99 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 60.91 | 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 | 88.95 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 122.20 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 170.81 | J mol-1 K-1 |
| Rotational | 114.13 | J mol-1 K-1 |
| Vibrational | 78.22 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 363.16 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -2125.65 | kJ mol-1 |
Molecular Orbitals
- 1 -2154.68 eV View
- 2 -695.13 eV View
- 3 -695.12 eV View
- 4 -695.12 eV View
- 5 -695.12 eV View
- 6 -695.10 eV View
- 7 -695.10 eV View
- 8 -202.36 eV View
- 9 -143.37 eV View
- 10 -143.37 eV View
- 11 -143.37 eV View
- 12 -36.48 eV View
- 13 -33.61 eV View
- 14 -33.61 eV View
- 15 -33.61 eV View
- 16 -32.06 eV View
- 17 -32.06 eV View
- 18 -14.11 eV View
- 19 -11.07 eV View
- 20 -11.07 eV View
- 21 -11.07 eV View
- 22 -6.72 eV View
- 23 -6.72 eV View
- 24 -6.72 eV View
- 25 -5.41 eV View
- 26 -5.41 eV View
- 27 -5.41 eV View
- 28 -4.62 eV View
- 29 -4.62 eV View
- 30 -4.62 eV View
- 31 -4.54 eV View
- 32 -4.54 eV View
- 33 -4.54 eV View
- 34 -4.05 eV View
- 35 -4.05 eV View
- 36 21.23 eV View
- 37 24.22 eV View
- 38 24.23 eV View
- 39 24.23 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 | 0.00 | kJ mol-1 |
| Polar Solvation Energy | 0.00 | kJ mol-1 |
| Nonpolar Solvation Energy | 0.00 | kJ mol-1 |
| Surface Area | Å2 | |
| Charge of Molecule | -1 | |
| Dipole | 0.00 | Debye |