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 | 377.49 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 387.41 | 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 | 139.36 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 172.61 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 171.07 | J mol-1 K-1 |
| Rotational | 122.37 | J mol-1 K-1 |
| Vibrational | 114.60 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 408.05 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -565.64 | kJ mol-1 |
Molecular Orbitals
- 1 -551.94 eV View
- 2 -551.54 eV View
- 3 -551.44 eV View
- 4 -551.43 eV View
- 5 -551.21 eV View
- 6 -304.94 eV View
- 7 -303.38 eV View
- 8 -302.49 eV View
- 9 -301.35 eV View
- 10 -299.79 eV View
- 11 -38.70 eV View
- 12 -36.82 eV View
- 13 -35.70 eV View
- 14 -34.54 eV View
- 15 -34.19 eV View
- 16 -27.65 eV View
- 17 -26.04 eV View
- 18 -22.85 eV View
- 19 -21.19 eV View
- 20 -19.69 eV View
- 21 -18.56 eV View
- 22 -18.02 eV View
- 23 -17.32 eV View
- 24 -16.89 eV View
- 25 -15.63 eV View
- 26 -15.53 eV View
- 27 -14.46 eV View
- 28 -13.63 eV View
- 29 -13.15 eV View
- 30 -13.09 eV View
- 31 -12.41 eV View
- 32 -11.95 eV View
- 33 -11.55 eV View
- 34 -11.05 eV View
- 35 -10.55 eV View
- 36 -9.93 eV View
- 37 -9.59 eV View
- 38 -9.15 eV View
- 39 -8.05 eV View
- 40 5.55 eV View
- 41 13.40 eV View
- 42 13.55 eV View
- 43 14.27 eV View
- 44 15.25 eV View
- 45 16.52 eV View
- 46 16.75 eV View
- 47 17.17 eV View
- 48 17.87 eV View
- 49 18.20 eV View
- 50 18.44 eV View
- 51 18.97 eV View
- 52 19.67 eV View
- 53 20.15 eV View
- 54 20.54 eV View
- 55 21.02 eV View
- 56 21.60 eV View
- 57 22.16 eV View
- 58 23.11 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 57.58 cm-1 View
- 2 79.35 cm-1 View
- 3 194.88 cm-1 View
- 4 243.06 cm-1 View
- 5 275.78 cm-1 View
- 6 298.45 cm-1 View
- 7 331.49 cm-1 View
- 8 344.25 cm-1 View
- 9 353.54 cm-1 View
- 10 370.78 cm-1 View
- 11 377.70 cm-1 View
- 12 412.71 cm-1 View
- 13 427.65 cm-1 View
- 14 456.14 cm-1 View
- 15 484.48 cm-1 View
- 16 525.81 cm-1 View
- 17 539.66 cm-1 View
- 18 645.26 cm-1 View
- 19 655.40 cm-1 View
- 20 842.67 cm-1 View
- 21 914.25 cm-1 View
- 22 926.63 cm-1 View
- 23 1010.35 cm-1 View
- 24 1046.59 cm-1 View
- 25 1070.32 cm-1 View
- 26 1106.72 cm-1 View
- 27 1156.59 cm-1 View
- 28 1173.64 cm-1 View
- 29 1204.95 cm-1 View
- 30 1231.53 cm-1 View
- 31 1250.83 cm-1 View
- 32 1272.98 cm-1 View
- 33 1286.51 cm-1 View
- 34 1306.98 cm-1 View
- 35 1351.65 cm-1 View
- 36 1390.16 cm-1 View
- 37 1416.27 cm-1 View
- 38 1449.27 cm-1 View
- 39 1494.24 cm-1 View
- 40 1575.08 cm-1 View
- 41 2873.64 cm-1 View
- 42 2983.98 cm-1 View
- 43 3008.50 cm-1 View
- 44 3058.50 cm-1 View
- 45 3811.43 cm-1 View
- 46 3817.69 cm-1 View
- 47 3826.92 cm-1 View
- 48 3887.75 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -8.00 | kJ mol-1 |
| Polar Solvation Energy | -27.31 | kJ mol-1 |
| Nonpolar Solvation Energy | 19.31 | kJ mol-1 |
| Surface Area | 123.03 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 1.56 | Debye |