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 | 305.87 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 315.79 | 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 | 112.72 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 145.98 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 169.74 | J mol-1 K-1 |
| Rotational | 124.34 | J mol-1 K-1 |
| Vibrational | 104.86 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 398.94 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 320.14 | kJ mol-1 |
Molecular Orbitals
- 1 -1851.50 eV View
- 2 -417.52 eV View
- 3 -301.68 eV View
- 4 -301.52 eV View
- 5 -301.51 eV View
- 6 -300.93 eV View
- 7 -300.93 eV View
- 8 -299.67 eV View
- 9 -298.54 eV View
- 10 -164.42 eV View
- 11 -110.72 eV View
- 12 -110.69 eV View
- 13 -110.69 eV View
- 14 -32.68 eV View
- 15 -28.90 eV View
- 16 -26.81 eV View
- 17 -25.97 eV View
- 18 -22.42 eV View
- 19 -21.87 eV View
- 20 -20.13 eV View
- 21 -18.68 eV View
- 22 -16.71 eV View
- 23 -16.45 eV View
- 24 -15.19 eV View
- 25 -15.15 eV View
- 26 -13.80 eV View
- 27 -13.69 eV View
- 28 -13.00 eV View
- 29 -12.88 eV View
- 30 -12.73 eV View
- 31 -10.64 eV View
- 32 -9.18 eV View
- 33 -9.14 eV View
- 34 -8.36 eV View
- 35 -7.64 eV View
- 36 5.36 eV View
- 37 6.60 eV View
- 38 8.81 eV View
- 39 9.86 eV View
- 40 12.40 eV View
- 41 13.06 eV View
- 42 14.22 eV View
- 43 14.86 eV View
- 44 15.89 eV View
- 45 15.94 eV View
- 46 16.81 eV View
- 47 17.62 eV View
- 48 18.80 eV View
- 49 19.29 eV View
- 50 20.74 eV View
- 51 23.08 eV View
- 52 23.16 eV View
- 53 24.32 eV View
- 54 28.94 eV View
- 55 28.95 eV View
- 56 38.93 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 28.21 cm-1 View
- 2 79.19 cm-1 View
- 3 80.30 cm-1 View
- 4 213.76 cm-1 View
- 5 274.76 cm-1 View
- 6 344.73 cm-1 View
- 7 347.59 cm-1 View
- 8 406.59 cm-1 View
- 9 557.77 cm-1 View
- 10 565.34 cm-1 View
- 11 631.41 cm-1 View
- 12 638.67 cm-1 View
- 13 647.37 cm-1 View
- 14 684.59 cm-1 View
- 15 698.06 cm-1 View
- 16 821.46 cm-1 View
- 17 844.05 cm-1 View
- 18 856.96 cm-1 View
- 19 868.90 cm-1 View
- 20 869.33 cm-1 View
- 21 896.90 cm-1 View
- 22 970.63 cm-1 View
- 23 984.41 cm-1 View
- 24 1035.87 cm-1 View
- 25 1091.67 cm-1 View
- 26 1107.26 cm-1 View
- 27 1123.33 cm-1 View
- 28 1161.32 cm-1 View
- 29 1204.65 cm-1 View
- 30 1386.90 cm-1 View
- 31 1473.94 cm-1 View
- 32 1618.79 cm-1 View
- 33 1736.46 cm-1 View
- 34 1783.03 cm-1 View
- 35 1932.89 cm-1 View
- 36 1933.96 cm-1 View
- 37 1949.65 cm-1 View
- 38 2386.45 cm-1 View
- 39 3033.02 cm-1 View
- 40 3036.53 cm-1 View
- 41 3076.43 cm-1 View
- 42 3079.50 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 |