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 | 412.52 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 422.44 | 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 | 123.59 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 156.84 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 170.29 | J mol-1 K-1 |
| Rotational | 124.83 | J mol-1 K-1 |
| Vibrational | 118.96 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 414.08 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 167.83 | kJ mol-1 |
Molecular Orbitals
- 1 -418.24 eV View
- 2 -417.48 eV View
- 3 -417.47 eV View
- 4 -417.35 eV View
- 5 -416.78 eV View
- 6 -304.17 eV View
- 7 -302.95 eV View
- 8 -302.93 eV View
- 9 -302.06 eV View
- 10 -301.85 eV View
- 11 -35.03 eV View
- 12 -32.41 eV View
- 13 -30.98 eV View
- 14 -30.80 eV View
- 15 -29.81 eV View
- 16 -25.62 eV View
- 17 -23.12 eV View
- 18 -22.32 eV View
- 19 -21.63 eV View
- 20 -18.88 eV View
- 21 -17.82 eV View
- 22 -17.22 eV View
- 23 -16.59 eV View
- 24 -15.85 eV View
- 25 -15.26 eV View
- 26 -14.96 eV View
- 27 -14.62 eV View
- 28 -14.02 eV View
- 29 -13.32 eV View
- 30 -13.09 eV View
- 31 -12.81 eV View
- 32 -11.10 eV View
- 33 -9.74 eV View
- 34 -9.06 eV View
- 35 -8.93 eV View
- 36 -8.89 eV View
- 37 -7.46 eV View
- 38 5.81 eV View
- 39 6.13 eV View
- 40 12.00 eV View
- 41 14.05 eV View
- 42 15.45 eV View
- 43 16.20 eV View
- 44 16.37 eV View
- 45 16.60 eV View
- 46 17.30 eV View
- 47 18.24 eV View
- 48 18.51 eV View
- 49 18.96 eV View
- 50 19.38 eV View
- 51 19.72 eV View
- 52 19.99 eV View
- 53 20.66 eV View
- 54 20.85 eV View
- 55 21.49 eV View
- 56 23.11 eV View
- 57 23.46 eV View
- 58 24.54 eV View
- 59 28.35 eV View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -11.30 | kJ mol-1 |
| Polar Solvation Energy | -31.63 | kJ mol-1 |
| Nonpolar Solvation Energy | 20.31 | kJ mol-1 |
| Surface Area | 137.18 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 3.13 | Debye |