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 | 143.51 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 153.43 | 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 | 25.36 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 58.62 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 160.81 | J mol-1 K-1 |
| Rotational | 96.83 | J mol-1 K-1 |
| Vibrational | 18.14 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 275.78 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -30.29 | kJ mol-1 |
Molecular Orbitals
- 1 -2819.83 eV View
- 2 -418.60 eV View
- 3 -302.00 eV View
- 4 -281.04 eV View
- 5 -211.46 eV View
- 6 -211.30 eV View
- 7 -211.30 eV View
- 8 -32.42 eV View
- 9 -26.24 eV View
- 10 -23.29 eV View
- 11 -17.06 eV View
- 12 -15.82 eV View
- 13 -14.87 eV View
- 14 -13.10 eV View
- 15 -11.54 eV View
- 16 -10.19 eV View
- 17 -8.51 eV View
- 18 9.15 eV View
- 19 16.42 eV View
- 20 17.41 eV View
- 21 18.81 eV View
- 22 19.42 eV View
- 23 20.05 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 164.06 cm-1 View
- 2 347.28 cm-1 View
- 3 813.60 cm-1 View
- 4 876.18 cm-1 View
- 5 1030.53 cm-1 View
- 6 1053.87 cm-1 View
- 7 1120.59 cm-1 View
- 8 1279.41 cm-1 View
- 9 1363.11 cm-1 View
- 10 1376.49 cm-1 View
- 11 1389.75 cm-1 View
- 12 3045.23 cm-1 View
- 13 3065.60 cm-1 View
- 14 3135.72 cm-1 View
- 15 3387.96 cm-1 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 | 0 | |
| Dipole | 0.00 | Debye |