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 | 274.29 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 284.21 | 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 | 83.48 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 116.74 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 165.93 | J mol-1 K-1 |
| Rotational | 116.01 | J mol-1 K-1 |
| Vibrational | 77.98 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 359.92 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -256.10 | kJ mol-1 |
Molecular Orbitals
- 1 -551.94 eV View
- 2 -550.58 eV View
- 3 -303.83 eV View
- 4 -301.04 eV View
- 5 -300.60 eV View
- 6 -300.49 eV View
- 7 -300.34 eV View
- 8 -37.50 eV View
- 9 -34.21 eV View
- 10 -28.81 eV View
- 11 -26.54 eV View
- 12 -22.77 eV View
- 13 -20.06 eV View
- 14 -19.11 eV View
- 15 -17.12 eV View
- 16 -16.40 eV View
- 17 -15.51 eV View
- 18 -14.61 eV View
- 19 -14.61 eV View
- 20 -13.79 eV View
- 21 -12.81 eV View
- 22 -11.97 eV View
- 23 -11.24 eV View
- 24 -9.33 eV View
- 25 -9.07 eV View
- 26 -7.42 eV View
- 27 5.22 eV View
- 28 9.25 eV View
- 29 11.92 eV View
- 30 14.82 eV View
- 31 16.63 eV View
- 32 17.56 eV View
- 33 17.82 eV View
- 34 18.46 eV View
- 35 18.66 eV View
- 36 20.61 eV View
- 37 23.55 eV View
- 38 23.85 eV View
- 39 26.87 eV View
- 40 27.45 eV View
- 41 30.02 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 59.58 cm-1 View
- 2 99.74 cm-1 View
- 3 148.16 cm-1 View
- 4 183.82 cm-1 View
- 5 346.61 cm-1 View
- 6 361.52 cm-1 View
- 7 516.02 cm-1 View
- 8 518.42 cm-1 View
- 9 566.54 cm-1 View
- 10 579.50 cm-1 View
- 11 673.98 cm-1 View
- 12 919.46 cm-1 View
- 13 926.17 cm-1 View
- 14 943.53 cm-1 View
- 15 979.80 cm-1 View
- 16 1045.64 cm-1 View
- 17 1049.22 cm-1 View
- 18 1167.92 cm-1 View
- 19 1206.91 cm-1 View
- 20 1235.39 cm-1 View
- 21 1241.93 cm-1 View
- 22 1282.23 cm-1 View
- 23 1357.80 cm-1 View
- 24 1471.32 cm-1 View
- 25 1832.40 cm-1 View
- 26 1867.49 cm-1 View
- 27 1968.97 cm-1 View
- 28 3017.86 cm-1 View
- 29 3037.17 cm-1 View
- 30 3042.88 cm-1 View
- 31 3131.20 cm-1 View
- 32 3144.25 cm-1 View
- 33 3856.15 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -4.58 | kJ mol-1 |
| Polar Solvation Energy | -19.50 | kJ mol-1 |
| Nonpolar Solvation Energy | 14.92 | kJ mol-1 |
| Surface Area | 109.31 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 2.66 | Debye |