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 | 382.75 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 392.67 | 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 | 89.30 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 122.56 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 168.14 | J mol-1 K-1 |
| Rotational | 117.86 | J mol-1 K-1 |
| Vibrational | 65.41 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 351.41 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 790.11 | kJ mol-1 |
Molecular Orbitals
- 1 -2825.36 eV View
- 2 -312.29 eV View
- 3 -308.92 eV View
- 4 -307.91 eV View
- 5 -306.13 eV View
- 6 -305.98 eV View
- 7 -305.50 eV View
- 8 -286.47 eV View
- 9 -216.89 eV View
- 10 -216.72 eV View
- 11 -216.71 eV View
- 12 -37.42 eV View
- 13 -34.37 eV View
- 14 -32.83 eV View
- 15 -31.09 eV View
- 16 -28.38 eV View
- 17 -27.44 eV View
- 18 -24.96 eV View
- 19 -24.20 eV View
- 20 -21.93 eV View
- 21 -21.74 eV View
- 22 -20.74 eV View
- 23 -20.54 eV View
- 24 -20.02 eV View
- 25 -19.03 eV View
- 26 -17.90 eV View
- 27 -16.90 eV View
- 28 -16.78 eV View
- 29 -16.65 eV View
- 30 -15.31 eV View
- 31 -15.10 eV View
- 32 -3.91 eV View
- 33 4.40 eV View
- 34 8.63 eV View
- 35 9.46 eV View
- 36 9.85 eV View
- 37 10.48 eV View
- 38 11.15 eV View
- 39 12.06 eV View
- 40 12.64 eV View
- 41 13.07 eV View
- 42 13.59 eV View
- 43 14.63 eV View
- 44 15.25 eV View
- 45 16.16 eV View
- 46 16.43 eV View
- 47 16.48 eV View
- 48 16.80 eV View
- 49 16.99 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 |