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 | 20.26 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 30.17 | 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 | 34.88 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 68.14 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 168.85 | J mol-1 K-1 |
| Rotational | 110.97 | J mol-1 K-1 |
| Vibrational | 23.28 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 303.10 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 179.20 | kJ mol-1 |
Molecular Orbitals
- 1 -2152.60 eV View
- 2 -2152.60 eV View
- 3 -2152.60 eV View
- 4 -2152.59 eV View
- 5 -201.81 eV View
- 6 -201.81 eV View
- 7 -201.81 eV View
- 8 -201.76 eV View
- 9 -142.66 eV View
- 10 -142.66 eV View
- 11 -142.66 eV View
- 12 -142.61 eV View
- 13 -142.59 eV View
- 14 -142.59 eV View
- 15 -142.59 eV View
- 16 -142.53 eV View
- 17 -142.53 eV View
- 18 -142.53 eV View
- 19 -142.53 eV View
- 20 -142.53 eV View
- 21 -29.80 eV View
- 22 -19.56 eV View
- 23 -19.56 eV View
- 24 -19.56 eV View
- 25 -11.52 eV View
- 26 -10.03 eV View
- 27 -10.03 eV View
- 28 -10.03 eV View
- 29 -9.38 eV View
- 30 -9.38 eV View
- 31 4.22 eV View
- 32 4.22 eV View
- 33 4.22 eV View
- 34 6.63 eV View
- 35 6.63 eV View
- 36 6.63 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 | -12.32 | kJ mol-1 |
| Polar Solvation Energy | -6.84 | kJ mol-1 |
| Nonpolar Solvation Energy | -5.52 | kJ mol-1 |
| Surface Area | 119.75 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.02 | Debye |