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 | 7.95 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 17.87 | 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 | 23.29 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 56.54 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 181.21 | J mol-1 K-1 |
| Rotational | 127.04 | J mol-1 K-1 |
| Vibrational | 33.04 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 341.29 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 78.23 | kJ mol-1 |
Molecular Orbitals
- 1 -31698.52 eV View
- 2 -31698.52 eV View
- 3 -12407.21 eV View
- 4 -4852.76 eV View
- 5 -4852.76 eV View
- 6 -4588.88 eV View
- 7 -4588.88 eV View
- 8 -4588.85 eV View
- 9 -4588.85 eV View
- 10 -4588.85 eV View
- 11 -4588.85 eV View
- 12 -1613.38 eV View
- 13 -1459.43 eV View
- 14 -1459.41 eV View
- 15 -1459.35 eV View
- 16 -977.53 eV View
- 17 -977.53 eV View
- 18 -887.70 eV View
- 19 -887.70 eV View
- 20 -887.58 eV View
- 21 -887.58 eV View
- 22 -887.57 eV View
- 23 -887.57 eV View
- 24 -640.28 eV View
- 25 -640.28 eV View
- 26 -640.25 eV View
- 27 -640.25 eV View
- 28 -640.25 eV View
- 29 -640.25 eV View
- 30 -640.14 eV View
- 31 -640.14 eV View
- 32 -640.14 eV View
- 33 -640.14 eV View
- 34 -226.95 eV View
- 35 -180.29 eV View
- 36 -180.29 eV View
- 37 -166.98 eV View
- 38 -166.84 eV View
- 39 -166.52 eV View
- 40 -141.52 eV View
- 41 -141.52 eV View
- 42 -141.02 eV View
- 43 -141.02 eV View
- 44 -141.00 eV View
- 45 -141.00 eV View
- 46 -54.70 eV View
- 47 -54.68 eV View
- 48 -54.53 eV View
- 49 -54.53 eV View
- 50 -54.52 eV View
- 51 -54.52 eV View
- 52 -54.09 eV View
- 53 -54.09 eV View
- 54 -54.09 eV View
- 55 -54.09 eV View
- 56 -48.49 eV View
- 57 -48.49 eV View
- 58 -48.16 eV View
- 59 -48.03 eV View
- 60 -47.95 eV View
- 61 -23.95 eV View
- 62 -19.41 eV View
- 63 -16.57 eV View
- 64 -11.10 eV View
- 65 -10.48 eV View
- 66 -10.42 eV View
- 67 -8.51 eV View
- 68 -8.21 eV View
- 69 -8.07 eV View
- 70 -6.88 eV View
- 71 3.79 eV View
- 72 4.95 eV View
- 73 352.97 eV View
- 74 353.58 eV View
- 75 2616.60 eV View
- 76 10638.88 eV View
- 77 10639.22 eV View
Vibrational Frequencies
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 | 0 | |
| Dipole | 0.00 | Debye |