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 | 39.14 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 49.05 | 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 | 16.70 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 49.95 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 161.55 | J mol-1 K-1 |
| Rotational | 99.35 | J mol-1 K-1 |
| Vibrational | 8.63 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 269.53 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 416.24 | kJ mol-1 |
Molecular Orbitals
- 1 -721.61 eV View
- 2 -721.61 eV View
- 3 -721.61 eV View
- 4 -321.34 eV View
- 5 -56.32 eV View
- 6 -53.80 eV View
- 7 -53.80 eV View
- 8 -33.23 eV View
- 9 -30.33 eV View
- 10 -30.33 eV View
- 11 -29.50 eV View
- 12 -25.23 eV View
- 13 -25.03 eV View
- 14 -25.03 eV View
- 15 -24.81 eV View
- 16 -24.81 eV View
- 17 -5.07 eV View
- 18 2.73 eV View
- 19 8.10 eV View
- 20 8.10 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 |