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 | 76.15 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 86.07 | 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 | 78.81 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 112.07 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 171.15 | J mol-1 K-1 |
| Rotational | 119.53 | J mol-1 K-1 |
| Vibrational | 61.40 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 352.08 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -1351.35 | kJ mol-1 |
Molecular Orbitals
- 1 -2478.83 eV View
- 2 -700.34 eV View
- 3 -700.33 eV View
- 4 -700.33 eV View
- 5 -540.52 eV View
- 6 -540.51 eV View
- 7 -540.51 eV View
- 8 -298.50 eV View
- 9 -243.09 eV View
- 10 -178.81 eV View
- 11 -178.81 eV View
- 12 -178.71 eV View
- 13 -38.11 eV View
- 14 -35.17 eV View
- 15 -35.17 eV View
- 16 -32.75 eV View
- 17 -27.99 eV View
- 18 -27.99 eV View
- 19 -17.32 eV View
- 20 -14.43 eV View
- 21 -12.03 eV View
- 22 -12.03 eV View
- 23 -11.67 eV View
- 24 -9.64 eV View
- 25 -9.02 eV View
- 26 -9.02 eV View
- 27 -8.42 eV View
- 28 -8.42 eV View
- 29 -7.42 eV View
- 30 -6.95 eV View
- 31 -6.95 eV View
- 32 -2.74 eV View
- 33 -2.74 eV View
- 34 -2.65 eV View
- 35 -2.22 eV View
- 36 -2.22 eV View
- 37 -1.10 eV View
- 38 12.72 eV View
- 39 19.75 eV View
- 40 20.60 eV View
- 41 20.60 eV View
- 42 23.84 eV View
- 43 23.84 eV View
- 44 25.11 eV View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| 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 |