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 | 257.36 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 267.27 | 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 | 131.14 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 164.40 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 172.65 | J mol-1 K-1 |
| Rotational | 127.58 | J mol-1 K-1 |
| Vibrational | 137.61 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 437.83 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -1129.65 | kJ mol-1 |
Molecular Orbitals
- 1 -2141.45 eV View
- 2 -544.65 eV View
- 3 -543.47 eV View
- 4 -536.11 eV View
- 5 -530.27 eV View
- 6 -530.17 eV View
- 7 -530.10 eV View
- 8 -294.84 eV View
- 9 -294.77 eV View
- 10 -292.58 eV View
- 11 -190.24 eV View
- 12 -131.18 eV View
- 13 -131.17 eV View
- 14 -131.15 eV View
- 15 -29.31 eV View
- 16 -28.30 eV View
- 17 -23.20 eV View
- 18 -19.99 eV View
- 19 -17.94 eV View
- 20 -17.49 eV View
- 21 -17.40 eV View
- 22 -14.88 eV View
- 23 -11.79 eV View
- 24 -9.42 eV View
- 25 -8.75 eV View
- 26 -8.21 eV View
- 27 -6.91 eV View
- 28 -6.38 eV View
- 29 -5.52 eV View
- 30 -4.32 eV View
- 31 -3.96 eV View
- 32 -3.08 eV View
- 33 -1.77 eV View
- 34 -1.43 eV View
- 35 0.38 eV View
- 36 0.84 eV View
- 37 1.50 eV View
- 38 3.03 eV View
- 39 5.11 eV View
- 40 6.11 eV View
- 41 6.26 eV View
- 42 6.31 eV View
- 43 6.66 eV View
- 44 6.70 eV View
- 45 15.14 eV View
- 46 22.39 eV View
- 47 22.57 eV View
- 48 23.58 eV View
- 49 25.88 eV View
- 50 25.94 eV View
- 51 26.68 eV View
- 52 27.11 eV View
- 53 27.57 eV View
- 54 28.42 eV View
- 55 28.94 eV View
- 56 30.77 eV View
- 57 30.90 eV View
- 58 32.15 eV View
- 59 35.12 eV View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -883.30 | kJ mol-1 |
| Polar Solvation Energy | -900.70 | kJ mol-1 |
| Nonpolar Solvation Energy | 17.39 | kJ mol-1 |
| Surface Area | 140.43 | Å2 |
| Charge of Molecule | -2 | |
| Dipole | 13.20 | Debye |