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 | 364.72 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 374.64 | 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 | 55.12 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 88.38 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 166.68 | J mol-1 K-1 |
| Rotational | 111.03 | J mol-1 K-1 |
| Vibrational | 15.78 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 293.48 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 475.59 | kJ mol-1 |
Molecular Orbitals
- 1 -299.95 eV View
- 2 -299.95 eV View
- 3 -299.95 eV View
- 4 -299.95 eV View
- 5 -299.94 eV View
- 6 -299.94 eV View
- 7 -299.94 eV View
- 8 -299.93 eV View
- 9 -32.64 eV View
- 10 -25.43 eV View
- 11 -25.43 eV View
- 12 -25.43 eV View
- 13 -19.84 eV View
- 14 -19.84 eV View
- 15 -19.84 eV View
- 16 -18.40 eV View
- 17 -16.52 eV View
- 18 -14.77 eV View
- 19 -14.77 eV View
- 20 -14.77 eV View
- 21 -14.59 eV View
- 22 -14.59 eV View
- 23 -9.33 eV View
- 24 -9.33 eV View
- 25 -9.32 eV View
- 26 -9.25 eV View
- 27 -9.25 eV View
- 28 -9.25 eV View
- 29 12.91 eV View
- 30 12.91 eV View
- 31 12.91 eV View
- 32 15.31 eV View
- 33 15.31 eV View
- 34 15.31 eV View
- 35 15.61 eV View
- 36 19.26 eV View
- 37 19.26 eV View
- 38 19.26 eV View
- 39 19.33 eV View
- 40 19.33 eV View
- 41 19.33 eV View
- 42 19.53 eV View
- 43 19.86 eV View
- 44 19.86 eV View
- 45 23.72 eV View
- 46 23.72 eV View
- 47 23.72 eV View
- 48 31.85 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 592.02 cm-1 View
- 2 592.07 cm-1 View
- 3 795.49 cm-1 View
- 4 795.53 cm-1 View
- 5 795.56 cm-1 View
- 6 901.33 cm-1 View
- 7 901.37 cm-1 View
- 8 901.43 cm-1 View
- 9 929.34 cm-1 View
- 10 929.36 cm-1 View
- 11 929.43 cm-1 View
- 12 952.54 cm-1 View
- 13 952.56 cm-1 View
- 14 952.62 cm-1 View
- 15 986.17 cm-1 View
- 16 986.20 cm-1 View
- 17 1055.92 cm-1 View
- 18 1055.98 cm-1 View
- 19 1056.02 cm-1 View
- 20 1068.34 cm-1 View
- 21 1068.39 cm-1 View
- 22 1127.46 cm-1 View
- 23 1132.65 cm-1 View
- 24 1132.72 cm-1 View
- 25 1132.76 cm-1 View
- 26 1199.00 cm-1 View
- 27 1199.06 cm-1 View
- 28 1239.87 cm-1 View
- 29 1239.97 cm-1 View
- 30 1240.02 cm-1 View
- 31 1296.45 cm-1 View
- 32 1296.98 cm-1 View
- 33 1297.08 cm-1 View
- 34 1297.11 cm-1 View
- 35 3161.70 cm-1 View
- 36 3161.72 cm-1 View
- 37 3161.78 cm-1 View
- 38 3163.63 cm-1 View
- 39 3163.66 cm-1 View
- 40 3163.71 cm-1 View
- 41 3165.19 cm-1 View
- 42 3174.97 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 7.73 | kJ mol-1 |
| Polar Solvation Energy | -3.43 | kJ mol-1 |
| Nonpolar Solvation Energy | 11.16 | kJ mol-1 |
| Surface Area | 99.76 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.00 | Debye |