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 | 439.93 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 449.85 | 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 | 117.57 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 150.82 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 169.26 | J mol-1 K-1 |
| Rotational | 121.30 | J mol-1 K-1 |
| Vibrational | 98.90 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 389.47 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -253.38 | kJ mol-1 |
Molecular Orbitals
- 1 -1852.03 eV View
- 2 -550.92 eV View
- 3 -301.37 eV View
- 4 -300.64 eV View
- 5 -300.48 eV View
- 6 -300.41 eV View
- 7 -300.40 eV View
- 8 -298.89 eV View
- 9 -164.86 eV View
- 10 -111.15 eV View
- 11 -111.13 eV View
- 12 -111.13 eV View
- 13 -35.32 eV View
- 14 -29.09 eV View
- 15 -26.18 eV View
- 16 -25.56 eV View
- 17 -21.93 eV View
- 18 -21.10 eV View
- 19 -19.36 eV View
- 20 -17.53 eV View
- 21 -16.75 eV View
- 22 -15.68 eV View
- 23 -15.06 eV View
- 24 -14.93 eV View
- 25 -14.24 eV View
- 26 -14.12 eV View
- 27 -13.34 eV View
- 28 -13.09 eV View
- 29 -12.11 eV View
- 30 -11.66 eV View
- 31 -11.45 eV View
- 32 -11.04 eV View
- 33 -10.97 eV View
- 34 -9.87 eV View
- 35 -6.58 eV View
- 36 8.91 eV View
- 37 10.29 eV View
- 38 12.55 eV View
- 39 13.03 eV View
- 40 13.58 eV View
- 41 16.07 eV View
- 42 16.16 eV View
- 43 16.93 eV View
- 44 17.23 eV View
- 45 18.64 eV View
- 46 18.76 eV View
- 47 19.08 eV View
- 48 19.80 eV View
- 49 20.49 eV View
- 50 21.13 eV View
- 51 21.21 eV View
- 52 21.37 eV View
- 53 21.84 eV View
- 54 22.79 eV View
- 55 25.93 eV View
- 56 28.83 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 43.47 cm-1 View
- 2 109.32 cm-1 View
- 3 130.84 cm-1 View
- 4 182.03 cm-1 View
- 5 226.40 cm-1 View
- 6 273.88 cm-1 View
- 7 369.91 cm-1 View
- 8 455.04 cm-1 View
- 9 476.30 cm-1 View
- 10 525.58 cm-1 View
- 11 601.79 cm-1 View
- 12 621.60 cm-1 View
- 13 689.79 cm-1 View
- 14 791.10 cm-1 View
- 15 828.54 cm-1 View
- 16 867.42 cm-1 View
- 17 872.20 cm-1 View
- 18 879.23 cm-1 View
- 19 888.46 cm-1 View
- 20 925.26 cm-1 View
- 21 946.98 cm-1 View
- 22 953.43 cm-1 View
- 23 983.35 cm-1 View
- 24 1025.11 cm-1 View
- 25 1044.58 cm-1 View
- 26 1070.39 cm-1 View
- 27 1102.65 cm-1 View
- 28 1132.20 cm-1 View
- 29 1141.54 cm-1 View
- 30 1147.39 cm-1 View
- 31 1158.61 cm-1 View
- 32 1261.97 cm-1 View
- 33 1301.31 cm-1 View
- 34 1316.18 cm-1 View
- 35 1352.01 cm-1 View
- 36 1383.92 cm-1 View
- 37 1395.52 cm-1 View
- 38 1408.07 cm-1 View
- 39 1413.07 cm-1 View
- 40 1423.39 cm-1 View
- 41 1464.76 cm-1 View
- 42 1865.76 cm-1 View
- 43 1929.13 cm-1 View
- 44 1938.01 cm-1 View
- 45 1959.21 cm-1 View
- 46 2938.43 cm-1 View
- 47 2949.25 cm-1 View
- 48 2960.53 cm-1 View
- 49 2967.64 cm-1 View
- 50 3019.85 cm-1 View
- 51 3029.36 cm-1 View
- 52 3031.15 cm-1 View
- 53 3040.06 cm-1 View
- 54 3045.40 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 |