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 | 302.91 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 312.82 | 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 | 94.53 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 127.79 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 165.01 | J mol-1 K-1 |
| Rotational | 111.09 | J mol-1 K-1 |
| Vibrational | 74.31 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 350.40 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 15.30 | kJ mol-1 |
Molecular Orbitals
- 1 -1851.03 eV View
- 2 -416.35 eV View
- 3 -416.35 eV View
- 4 -416.35 eV View
- 5 -302.60 eV View
- 6 -163.96 eV View
- 7 -110.23 eV View
- 8 -110.23 eV View
- 9 -110.23 eV View
- 10 -32.27 eV View
- 11 -29.11 eV View
- 12 -29.11 eV View
- 13 -21.45 eV View
- 14 -18.86 eV View
- 15 -16.80 eV View
- 16 -16.11 eV View
- 17 -16.11 eV View
- 18 -14.87 eV View
- 19 -14.87 eV View
- 20 -12.21 eV View
- 21 -12.21 eV View
- 22 -10.44 eV View
- 23 -9.09 eV View
- 24 -9.09 eV View
- 25 -8.73 eV View
- 26 10.75 eV View
- 27 12.23 eV View
- 28 12.24 eV View
- 29 13.93 eV View
- 30 16.97 eV View
- 31 17.40 eV View
- 32 17.41 eV View
- 33 18.58 eV View
- 34 19.98 eV View
- 35 19.99 eV View
- 36 21.04 eV View
- 37 21.04 eV View
- 38 21.99 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 97.60 cm-1 View
- 2 215.77 cm-1 View
- 3 216.16 cm-1 View
- 4 239.95 cm-1 View
- 5 265.95 cm-1 View
- 6 266.36 cm-1 View
- 7 385.07 cm-1 View
- 8 425.36 cm-1 View
- 9 425.54 cm-1 View
- 10 587.86 cm-1 View
- 11 587.92 cm-1 View
- 12 598.92 cm-1 View
- 13 832.63 cm-1 View
- 14 878.32 cm-1 View
- 15 878.38 cm-1 View
- 16 925.23 cm-1 View
- 17 1042.71 cm-1 View
- 18 1042.98 cm-1 View
- 19 1092.42 cm-1 View
- 20 1130.83 cm-1 View
- 21 1131.56 cm-1 View
- 22 1241.46 cm-1 View
- 23 1241.70 cm-1 View
- 24 1269.63 cm-1 View
- 25 1665.23 cm-1 View
- 26 1668.67 cm-1 View
- 27 1668.73 cm-1 View
- 28 1917.54 cm-1 View
- 29 1917.74 cm-1 View
- 30 1937.30 cm-1 View
- 31 3370.25 cm-1 View
- 32 3370.67 cm-1 View
- 33 3371.16 cm-1 View
- 34 3503.88 cm-1 View
- 35 3506.98 cm-1 View
- 36 3507.36 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 |