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 | 105.16 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 115.07 | 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 | 34.39 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 67.65 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 162.42 | J mol-1 K-1 |
| Rotational | 104.31 | J mol-1 K-1 |
| Vibrational | 20.32 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 287.06 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 297.59 | kJ mol-1 |
Molecular Orbitals
- 1 -559.05 eV View
- 2 -555.97 eV View
- 3 -549.42 eV View
- 4 -304.96 eV View
- 5 -300.50 eV View
- 6 -42.11 eV View
- 7 -39.17 eV View
- 8 -31.00 eV View
- 9 -25.22 eV View
- 10 -20.04 eV View
- 11 -19.84 eV View
- 12 -17.59 eV View
- 13 -16.33 eV View
- 14 -15.99 eV View
- 15 -14.57 eV View
- 16 -14.00 eV View
- 17 -9.00 eV View
- 18 -7.37 eV View
- 19 -6.56 eV View
- 20 4.53 eV View
- 21 7.63 eV View
- 22 13.62 eV View
- 23 15.40 eV View
- 24 18.10 eV View
- 25 18.42 eV View
- 26 21.19 eV View
- 27 24.48 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 | -48.60 | kJ mol-1 |
| Polar Solvation Energy | -55.61 | kJ mol-1 |
| Nonpolar Solvation Energy | 7.02 | kJ mol-1 |
| Surface Area | 87.43 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 7.18 | Debye |