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 | 344.06 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 353.98 | 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 | 96.99 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 130.25 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 169.74 | J mol-1 K-1 |
| Rotational | 120.63 | J mol-1 K-1 |
| Vibrational | 75.69 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 366.05 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -180.82 | kJ mol-1 |
Molecular Orbitals
- 1 -2818.94 eV View
- 2 -551.55 eV View
- 3 -417.33 eV View
- 4 -302.75 eV View
- 5 -302.54 eV View
- 6 -302.12 eV View
- 7 -301.61 eV View
- 8 -301.34 eV View
- 9 -280.24 eV View
- 10 -210.65 eV View
- 11 -210.50 eV View
- 12 -210.50 eV View
- 13 -35.83 eV View
- 14 -32.50 eV View
- 15 -29.31 eV View
- 16 -27.35 eV View
- 17 -25.53 eV View
- 18 -22.99 eV View
- 19 -21.38 eV View
- 20 -19.22 eV View
- 21 -17.81 eV View
- 22 -16.89 eV View
- 23 -15.98 eV View
- 24 -15.86 eV View
- 25 -14.99 eV View
- 26 -14.66 eV View
- 27 -14.01 eV View
- 28 -13.33 eV View
- 29 -12.28 eV View
- 30 -11.48 eV View
- 31 -10.17 eV View
- 32 -9.99 eV View
- 33 -9.61 eV View
- 34 -9.45 eV View
- 35 -8.56 eV View
- 36 7.68 eV View
- 37 10.19 eV View
- 38 14.20 eV View
- 39 15.02 eV View
- 40 16.36 eV View
- 41 16.59 eV View
- 42 17.40 eV View
- 43 17.62 eV View
- 44 17.77 eV View
- 45 18.59 eV View
- 46 18.96 eV View
- 47 19.53 eV View
- 48 19.64 eV View
- 49 20.57 eV View
- 50 21.37 eV View
- 51 22.97 eV View
- 52 27.40 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 90.19 cm-1 View
- 2 114.02 cm-1 View
- 3 211.82 cm-1 View
- 4 232.75 cm-1 View
- 5 324.24 cm-1 View
- 6 368.16 cm-1 View
- 7 397.42 cm-1 View
- 8 426.51 cm-1 View
- 9 481.56 cm-1 View
- 10 545.54 cm-1 View
- 11 698.13 cm-1 View
- 12 765.83 cm-1 View
- 13 843.90 cm-1 View
- 14 896.11 cm-1 View
- 15 947.57 cm-1 View
- 16 982.96 cm-1 View
- 17 1001.25 cm-1 View
- 18 1029.60 cm-1 View
- 19 1065.29 cm-1 View
- 20 1071.37 cm-1 View
- 21 1097.81 cm-1 View
- 22 1112.89 cm-1 View
- 23 1128.14 cm-1 View
- 24 1152.39 cm-1 View
- 25 1170.48 cm-1 View
- 26 1205.40 cm-1 View
- 27 1255.13 cm-1 View
- 28 1308.83 cm-1 View
- 29 1342.44 cm-1 View
- 30 1362.20 cm-1 View
- 31 1381.22 cm-1 View
- 32 1391.82 cm-1 View
- 33 1410.58 cm-1 View
- 34 1886.91 cm-1 View
- 35 2834.07 cm-1 View
- 36 2922.92 cm-1 View
- 37 2945.80 cm-1 View
- 38 2950.45 cm-1 View
- 39 3012.05 cm-1 View
- 40 3022.69 cm-1 View
- 41 3032.28 cm-1 View
- 42 3905.96 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 |