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 | 367.02 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 376.94 | 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 | 110.21 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 143.47 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 169.65 | J mol-1 K-1 |
| Rotational | 121.75 | J mol-1 K-1 |
| Vibrational | 102.57 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 393.97 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -385.09 | kJ mol-1 |
Molecular Orbitals
- 1 -552.13 eV View
- 2 -545.77 eV View
- 3 -544.31 eV View
- 4 -423.97 eV View
- 5 -417.58 eV View
- 6 -304.55 eV View
- 7 -304.43 eV View
- 8 -300.53 eV View
- 9 -300.11 eV View
- 10 -37.13 eV View
- 11 -36.05 eV View
- 12 -33.13 eV View
- 13 -31.41 eV View
- 14 -29.51 eV View
- 15 -27.34 eV View
- 16 -23.80 eV View
- 17 -22.02 eV View
- 18 -21.27 eV View
- 19 -19.71 eV View
- 20 -18.67 eV View
- 21 -17.93 eV View
- 22 -17.00 eV View
- 23 -16.00 eV View
- 24 -14.79 eV View
- 25 -14.71 eV View
- 26 -13.45 eV View
- 27 -13.11 eV View
- 28 -12.19 eV View
- 29 -10.51 eV View
- 30 -10.06 eV View
- 31 -9.88 eV View
- 32 -8.73 eV View
- 33 -5.40 eV View
- 34 -5.15 eV View
- 35 -4.20 eV View
- 36 7.00 eV View
- 37 11.74 eV View
- 38 12.68 eV View
- 39 13.57 eV View
- 40 13.72 eV View
- 41 14.70 eV View
- 42 15.78 eV View
- 43 16.51 eV View
- 44 16.93 eV View
- 45 17.98 eV View
- 46 18.52 eV View
- 47 19.17 eV View
- 48 19.50 eV View
- 49 20.29 eV View
- 50 22.49 eV View
- 51 26.47 eV View
- 52 28.17 eV View
- 53 30.16 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 37.05 cm-1 View
- 2 77.45 cm-1 View
- 3 109.45 cm-1 View
- 4 220.61 cm-1 View
- 5 274.02 cm-1 View
- 6 295.71 cm-1 View
- 7 309.38 cm-1 View
- 8 388.04 cm-1 View
- 9 429.08 cm-1 View
- 10 512.47 cm-1 View
- 11 558.55 cm-1 View
- 12 569.63 cm-1 View
- 13 631.35 cm-1 View
- 14 735.65 cm-1 View
- 15 824.09 cm-1 View
- 16 876.94 cm-1 View
- 17 887.05 cm-1 View
- 18 908.85 cm-1 View
- 19 983.67 cm-1 View
- 20 1007.75 cm-1 View
- 21 1023.88 cm-1 View
- 22 1049.69 cm-1 View
- 23 1099.02 cm-1 View
- 24 1130.02 cm-1 View
- 25 1153.20 cm-1 View
- 26 1229.55 cm-1 View
- 27 1247.56 cm-1 View
- 28 1278.61 cm-1 View
- 29 1360.43 cm-1 View
- 30 1388.92 cm-1 View
- 31 1425.69 cm-1 View
- 32 1468.23 cm-1 View
- 33 1504.26 cm-1 View
- 34 1534.03 cm-1 View
- 35 1694.93 cm-1 View
- 36 1899.97 cm-1 View
- 37 1926.54 cm-1 View
- 38 2349.14 cm-1 View
- 39 2935.30 cm-1 View
- 40 2958.99 cm-1 View
- 41 3007.38 cm-1 View
- 42 3025.04 cm-1 View
- 43 3362.74 cm-1 View
- 44 3431.54 cm-1 View
- 45 3550.78 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -125.42 | kJ mol-1 |
| Polar Solvation Energy | -143.87 | kJ mol-1 |
| Nonpolar Solvation Energy | 18.43 | kJ mol-1 |
| Surface Area | 116.97 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 14.30 | Debye |