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 | 330.11 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 340.03 | 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 | 72.71 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 105.97 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 162.27 | J mol-1 K-1 |
| Rotational | 106.79 | J mol-1 K-1 |
| Vibrational | 52.96 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 322.02 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -247.93 | kJ mol-1 |
Molecular Orbitals
- 1 -533.43 eV View
- 2 -293.87 eV View
- 3 -293.65 eV View
- 4 -293.65 eV View
- 5 -293.64 eV View
- 6 -23.56 eV View
- 7 -19.44 eV View
- 8 -18.21 eV View
- 9 -18.21 eV View
- 10 -11.91 eV View
- 11 -9.20 eV View
- 12 -9.20 eV View
- 13 -9.00 eV View
- 14 -7.93 eV View
- 15 -7.93 eV View
- 16 -7.29 eV View
- 17 -5.41 eV View
- 18 -5.41 eV View
- 19 -1.46 eV View
- 20 3.44 eV View
- 21 3.44 eV View
- 22 22.97 eV View
- 23 23.09 eV View
- 24 23.09 eV View
- 25 24.85 eV View
- 26 25.05 eV View
- 27 25.05 eV View
- 28 26.11 eV View
- 29 26.20 eV View
- 30 26.30 eV View
- 31 26.30 eV View
- 32 27.77 eV View
- 33 27.77 eV View
- 34 34.55 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 146.78 cm-1 View
- 2 196.13 cm-1 View
- 3 196.51 cm-1 View
- 4 342.27 cm-1 View
- 5 342.56 cm-1 View
- 6 453.25 cm-1 View
- 7 520.12 cm-1 View
- 8 520.22 cm-1 View
- 9 798.40 cm-1 View
- 10 864.57 cm-1 View
- 11 864.67 cm-1 View
- 12 928.72 cm-1 View
- 13 989.28 cm-1 View
- 14 989.37 cm-1 View
- 15 1034.64 cm-1 View
- 16 1163.59 cm-1 View
- 17 1163.63 cm-1 View
- 18 1350.30 cm-1 View
- 19 1350.35 cm-1 View
- 20 1365.02 cm-1 View
- 21 1415.47 cm-1 View
- 22 1419.97 cm-1 View
- 23 1420.14 cm-1 View
- 24 1429.40 cm-1 View
- 25 1429.43 cm-1 View
- 26 1434.03 cm-1 View
- 27 1452.57 cm-1 View
- 28 3067.16 cm-1 View
- 29 3067.33 cm-1 View
- 30 3068.16 cm-1 View
- 31 3082.86 cm-1 View
- 32 3084.41 cm-1 View
- 33 3084.45 cm-1 View
- 34 3179.88 cm-1 View
- 35 3181.16 cm-1 View
- 36 3181.21 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -286.48 | kJ mol-1 |
| Polar Solvation Energy | -299.43 | kJ mol-1 |
| Nonpolar Solvation Energy | 12.96 | kJ mol-1 |
| Surface Area | 93.94 | Å2 |
| Charge of Molecule | -1 | |
| Dipole | 6.00 | Debye |