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 | 474.19 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 484.11 | 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 | 105.64 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 138.90 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 167.15 | J mol-1 K-1 |
| Rotational | 118.64 | J mol-1 K-1 |
| Vibrational | 80.49 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 366.28 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 139.03 | kJ mol-1 |
Molecular Orbitals
- 1 -300.49 eV View
- 2 -300.47 eV View
- 3 -300.24 eV View
- 4 -300.24 eV View
- 5 -299.90 eV View
- 6 -299.90 eV View
- 7 -299.44 eV View
- 8 -299.44 eV View
- 9 -29.98 eV View
- 10 -27.06 eV View
- 11 -26.66 eV View
- 12 -23.43 eV View
- 13 -23.07 eV View
- 14 -20.18 eV View
- 15 -19.72 eV View
- 16 -18.58 eV View
- 17 -16.80 eV View
- 18 -16.32 eV View
- 19 -15.40 eV View
- 20 -15.21 eV View
- 21 -14.72 eV View
- 22 -13.91 eV View
- 23 -13.05 eV View
- 24 -12.18 eV View
- 25 -11.81 eV View
- 26 -11.33 eV View
- 27 -10.84 eV View
- 28 -10.67 eV View
- 29 -8.28 eV View
- 30 -7.96 eV View
- 31 8.36 eV View
- 32 8.97 eV View
- 33 14.43 eV View
- 34 14.89 eV View
- 35 15.92 eV View
- 36 16.02 eV View
- 37 16.75 eV View
- 38 18.08 eV View
- 39 18.64 eV View
- 40 18.93 eV View
- 41 19.49 eV View
- 42 19.89 eV View
- 43 19.98 eV View
- 44 20.05 eV View
- 45 20.66 eV View
- 46 21.57 eV View
- 47 23.32 eV View
- 48 24.81 eV View
- 49 26.02 eV View
- 50 27.20 eV View
- 51 27.93 eV View
- 52 28.15 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 75.26 cm-1 View
- 2 114.41 cm-1 View
- 3 165.87 cm-1 View
- 4 254.17 cm-1 View
- 5 275.42 cm-1 View
- 6 329.47 cm-1 View
- 7 454.54 cm-1 View
- 8 463.44 cm-1 View
- 9 524.24 cm-1 View
- 10 641.60 cm-1 View
- 11 648.61 cm-1 View
- 12 737.75 cm-1 View
- 13 847.88 cm-1 View
- 14 881.09 cm-1 View
- 15 929.42 cm-1 View
- 16 932.75 cm-1 View
- 17 937.45 cm-1 View
- 18 973.24 cm-1 View
- 19 1001.37 cm-1 View
- 20 1015.27 cm-1 View
- 21 1026.42 cm-1 View
- 22 1036.10 cm-1 View
- 23 1046.35 cm-1 View
- 24 1067.80 cm-1 View
- 25 1092.28 cm-1 View
- 26 1104.72 cm-1 View
- 27 1125.40 cm-1 View
- 28 1161.02 cm-1 View
- 29 1184.43 cm-1 View
- 30 1191.28 cm-1 View
- 31 1209.26 cm-1 View
- 32 1210.64 cm-1 View
- 33 1261.14 cm-1 View
- 34 1273.69 cm-1 View
- 35 1301.50 cm-1 View
- 36 1346.68 cm-1 View
- 37 1394.49 cm-1 View
- 38 1411.74 cm-1 View
- 39 1416.96 cm-1 View
- 40 1465.69 cm-1 View
- 41 1854.00 cm-1 View
- 42 1857.64 cm-1 View
- 43 2930.78 cm-1 View
- 44 2938.08 cm-1 View
- 45 3028.30 cm-1 View
- 46 3042.62 cm-1 View
- 47 3046.56 cm-1 View
- 48 3047.61 cm-1 View
- 49 3077.10 cm-1 View
- 50 3102.89 cm-1 View
- 51 3104.46 cm-1 View
- 52 3110.02 cm-1 View
- 53 3150.77 cm-1 View
- 54 3150.90 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 16.94 | kJ mol-1 |
| Polar Solvation Energy | -2.99 | kJ mol-1 |
| Nonpolar Solvation Energy | 19.94 | kJ mol-1 |
| Surface Area | 117.95 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.30 | Debye |