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 | 612.06 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 621.97 | 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 | 144.77 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 178.03 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 168.87 | J mol-1 K-1 |
| Rotational | 125.21 | J mol-1 K-1 |
| Vibrational | 137.32 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 431.40 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 11.36 | kJ mol-1 |
Molecular Orbitals
- 1 -300.74 eV View
- 2 -300.43 eV View
- 3 -300.38 eV View
- 4 -300.30 eV View
- 5 -300.21 eV View
- 6 -299.83 eV View
- 7 -299.65 eV View
- 8 -299.56 eV View
- 9 -299.37 eV View
- 10 -29.16 eV View
- 11 -27.54 eV View
- 12 -26.96 eV View
- 13 -25.20 eV View
- 14 -24.03 eV View
- 15 -22.10 eV View
- 16 -20.72 eV View
- 17 -19.83 eV View
- 18 -18.19 eV View
- 19 -16.79 eV View
- 20 -16.24 eV View
- 21 -15.31 eV View
- 22 -15.03 eV View
- 23 -14.62 eV View
- 24 -14.55 eV View
- 25 -14.45 eV View
- 26 -13.68 eV View
- 27 -13.21 eV View
- 28 -12.84 eV View
- 29 -12.47 eV View
- 30 -11.95 eV View
- 31 -11.77 eV View
- 32 -11.11 eV View
- 33 -10.51 eV View
- 34 -8.35 eV View
- 35 -7.70 eV View
- 36 8.76 eV View
- 37 8.89 eV View
- 38 15.00 eV View
- 39 15.62 eV View
- 40 16.01 eV View
- 41 16.92 eV View
- 42 17.25 eV View
- 43 17.28 eV View
- 44 18.36 eV View
- 45 18.63 eV View
- 46 19.23 eV View
- 47 19.32 eV View
- 48 19.58 eV View
- 49 19.66 eV View
- 50 20.07 eV View
- 51 20.27 eV View
- 52 21.19 eV View
- 53 21.53 eV View
- 54 21.65 eV View
- 55 21.98 eV View
- 56 22.73 eV View
- 57 22.76 eV View
- 58 26.00 eV View
- 59 26.69 eV View
- 60 28.50 eV View
- 61 29.22 eV View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 25.80 | kJ mol-1 |
| Polar Solvation Energy | -4.06 | kJ mol-1 |
| Nonpolar Solvation Energy | 29.89 | kJ mol-1 |
| Surface Area | 137.18 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.24 | Debye |