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 | 48.97 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 58.88 | 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 | 62.27 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 95.53 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 176.12 | J mol-1 K-1 |
| Rotational | 115.98 | J mol-1 K-1 |
| Vibrational | 75.60 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 367.69 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -847.91 | kJ mol-1 |
Molecular Orbitals
- 1 -31709.52 eV View
- 2 -4863.60 eV View
- 3 -4599.70 eV View
- 4 -4599.70 eV View
- 5 -4599.70 eV View
- 6 -988.08 eV View
- 7 -898.14 eV View
- 8 -898.14 eV View
- 9 -898.13 eV View
- 10 -702.02 eV View
- 11 -702.02 eV View
- 12 -702.02 eV View
- 13 -699.79 eV View
- 14 -699.78 eV View
- 15 -650.77 eV View
- 16 -650.77 eV View
- 17 -650.77 eV View
- 18 -650.77 eV View
- 19 -650.77 eV View
- 20 -190.10 eV View
- 21 -150.93 eV View
- 22 -150.93 eV View
- 23 -150.88 eV View
- 24 -64.33 eV View
- 25 -64.29 eV View
- 26 -64.29 eV View
- 27 -64.19 eV View
- 28 -64.19 eV View
- 29 -40.56 eV View
- 30 -39.63 eV View
- 31 -39.63 eV View
- 32 -38.58 eV View
- 33 -37.95 eV View
- 34 -21.68 eV View
- 35 -16.82 eV View
- 36 -16.82 eV View
- 37 -16.62 eV View
- 38 -12.35 eV View
- 39 -12.35 eV View
- 40 -12.21 eV View
- 41 -11.98 eV View
- 42 -11.98 eV View
- 43 -11.66 eV View
- 44 -10.69 eV View
- 45 -10.69 eV View
- 46 -10.58 eV View
- 47 -10.58 eV View
- 48 -9.32 eV View
- 49 -1.38 eV View
- 50 5.57 eV View
- 51 5.57 eV View
- 52 8.44 eV View
- 53 347.42 eV View
- 54 10634.87 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 | 0 | |
| Dipole | 0.00 | Debye |