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 | 421.09 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 431.01 | 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 | 103.92 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 137.18 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 167.26 | J mol-1 K-1 |
| Rotational | 116.91 | J mol-1 K-1 |
| Vibrational | 81.60 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 365.78 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -40.62 | kJ mol-1 |
Molecular Orbitals
- 1 -2808.73 eV View
- 2 -423.95 eV View
- 3 -303.84 eV View
- 4 -302.96 eV View
- 5 -302.96 eV View
- 6 -300.40 eV View
- 7 -271.01 eV View
- 8 -201.35 eV View
- 9 -201.31 eV View
- 10 -201.31 eV View
- 11 -35.85 eV View
- 12 -27.07 eV View
- 13 -26.62 eV View
- 14 -25.87 eV View
- 15 -22.76 eV View
- 16 -20.83 eV View
- 17 -18.58 eV View
- 18 -18.47 eV View
- 19 -18.29 eV View
- 20 -16.31 eV View
- 21 -16.19 eV View
- 22 -14.94 eV View
- 23 -14.80 eV View
- 24 -14.63 eV View
- 25 -14.34 eV View
- 26 -13.86 eV View
- 27 -12.82 eV View
- 28 -4.50 eV View
- 29 -4.49 eV View
- 30 -3.97 eV View
- 31 12.08 eV View
- 32 12.92 eV View
- 33 12.95 eV View
- 34 14.05 eV View
- 35 16.36 eV View
- 36 16.45 eV View
- 37 17.08 eV View
- 38 17.84 eV View
- 39 17.95 eV View
- 40 18.13 eV View
- 41 18.19 eV View
- 42 18.80 eV View
- 43 19.11 eV View
- 44 19.59 eV View
- 45 19.69 eV View
- 46 21.05 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 107.62 cm-1 View
- 2 144.20 cm-1 View
- 3 184.29 cm-1 View
- 4 237.26 cm-1 View
- 5 260.67 cm-1 View
- 6 281.71 cm-1 View
- 7 357.05 cm-1 View
- 8 395.65 cm-1 View
- 9 436.43 cm-1 View
- 10 478.79 cm-1 View
- 11 484.81 cm-1 View
- 12 614.14 cm-1 View
- 13 876.63 cm-1 View
- 14 927.50 cm-1 View
- 15 935.36 cm-1 View
- 16 949.79 cm-1 View
- 17 972.40 cm-1 View
- 18 977.82 cm-1 View
- 19 980.34 cm-1 View
- 20 1029.57 cm-1 View
- 21 1032.38 cm-1 View
- 22 1210.60 cm-1 View
- 23 1213.79 cm-1 View
- 24 1249.20 cm-1 View
- 25 1249.73 cm-1 View
- 26 1321.17 cm-1 View
- 27 1326.78 cm-1 View
- 28 1344.10 cm-1 View
- 29 1348.44 cm-1 View
- 30 1356.57 cm-1 View
- 31 1368.44 cm-1 View
- 32 1371.01 cm-1 View
- 33 1373.02 cm-1 View
- 34 1379.92 cm-1 View
- 35 1381.13 cm-1 View
- 36 1400.44 cm-1 View
- 37 1975.01 cm-1 View
- 38 2855.93 cm-1 View
- 39 2875.84 cm-1 View
- 40 3046.65 cm-1 View
- 41 3049.11 cm-1 View
- 42 3055.07 cm-1 View
- 43 3056.52 cm-1 View
- 44 3064.94 cm-1 View
- 45 3104.34 cm-1 View
- 46 3107.37 cm-1 View
- 47 3107.91 cm-1 View
- 48 3132.88 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 |