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 | 63.09 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 73.01 | 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 | 24.72 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 57.98 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 164.58 | J mol-1 K-1 |
| Rotational | 105.35 | J mol-1 K-1 |
| Vibrational | 14.00 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 283.93 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 847.65 | kJ mol-1 |
Molecular Orbitals
- 1 -2831.64 eV View
- 2 -719.26 eV View
- 3 -719.26 eV View
- 4 -435.31 eV View
- 5 -292.28 eV View
- 6 -222.74 eV View
- 7 -222.51 eV View
- 8 -222.51 eV View
- 9 -53.57 eV View
- 10 -50.64 eV View
- 11 -40.28 eV View
- 12 -35.04 eV View
- 13 -29.43 eV View
- 14 -27.22 eV View
- 15 -26.99 eV View
- 16 -23.96 eV View
- 17 -23.13 eV View
- 18 -22.85 eV View
- 19 -21.52 eV View
- 20 -19.42 eV View
- 21 -19.40 eV View
- 22 -3.14 eV View
- 23 2.34 eV View
- 24 3.23 eV View
- 25 7.18 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 |