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 | 418.20 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 428.12 | 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 | 122.51 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 155.77 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 172.35 | J mol-1 K-1 |
| Rotational | 125.71 | J mol-1 K-1 |
| Vibrational | 105.66 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 403.72 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -109.18 | kJ mol-1 |
Molecular Orbitals
- 1 -2819.31 eV View
- 2 -2819.22 eV View
- 3 -303.79 eV View
- 4 -301.42 eV View
- 5 -301.16 eV View
- 6 -301.09 eV View
- 7 -300.96 eV View
- 8 -300.90 eV View
- 9 -300.30 eV View
- 10 -280.60 eV View
- 11 -280.52 eV View
- 12 -211.02 eV View
- 13 -210.94 eV View
- 14 -210.86 eV View
- 15 -210.86 eV View
- 16 -210.78 eV View
- 17 -210.78 eV View
- 18 -31.50 eV View
- 19 -29.16 eV View
- 20 -27.58 eV View
- 21 -26.84 eV View
- 22 -25.26 eV View
- 23 -24.76 eV View
- 24 -22.00 eV View
- 25 -20.60 eV View
- 26 -18.37 eV View
- 27 -17.12 eV View
- 28 -16.10 eV View
- 29 -15.90 eV View
- 30 -15.42 eV View
- 31 -14.84 eV View
- 32 -14.42 eV View
- 33 -14.02 eV View
- 34 -13.75 eV View
- 35 -13.44 eV View
- 36 -12.23 eV View
- 37 -12.03 eV View
- 38 -11.66 eV View
- 39 -10.33 eV View
- 40 -10.17 eV View
- 41 -9.69 eV View
- 42 -9.46 eV View
- 43 -8.20 eV View
- 44 7.09 eV View
- 45 9.68 eV View
- 46 11.37 eV View
- 47 15.27 eV View
- 48 16.03 eV View
- 49 16.32 eV View
- 50 16.92 eV View
- 51 17.30 eV View
- 52 18.06 eV View
- 53 18.83 eV View
- 54 19.03 eV View
- 55 19.60 eV View
- 56 19.71 eV View
- 57 19.89 eV View
- 58 20.05 eV View
- 59 20.67 eV View
- 60 20.88 eV View
- 61 21.71 eV View
- 62 25.37 eV View
- 63 28.28 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 68.45 cm-1 View
- 2 102.67 cm-1 View
- 3 114.40 cm-1 View
- 4 194.84 cm-1 View
- 5 212.24 cm-1 View
- 6 249.86 cm-1 View
- 7 318.99 cm-1 View
- 8 365.23 cm-1 View
- 9 379.68 cm-1 View
- 10 409.43 cm-1 View
- 11 471.67 cm-1 View
- 12 478.56 cm-1 View
- 13 558.53 cm-1 View
- 14 630.27 cm-1 View
- 15 753.29 cm-1 View
- 16 848.40 cm-1 View
- 17 896.41 cm-1 View
- 18 916.86 cm-1 View
- 19 943.83 cm-1 View
- 20 966.63 cm-1 View
- 21 986.18 cm-1 View
- 22 1008.58 cm-1 View
- 23 1018.19 cm-1 View
- 24 1069.48 cm-1 View
- 25 1085.60 cm-1 View
- 26 1110.38 cm-1 View
- 27 1135.18 cm-1 View
- 28 1145.35 cm-1 View
- 29 1208.63 cm-1 View
- 30 1240.40 cm-1 View
- 31 1312.71 cm-1 View
- 32 1334.69 cm-1 View
- 33 1360.48 cm-1 View
- 34 1378.37 cm-1 View
- 35 1388.36 cm-1 View
- 36 1393.77 cm-1 View
- 37 1397.34 cm-1 View
- 38 1403.00 cm-1 View
- 39 1410.77 cm-1 View
- 40 1474.91 cm-1 View
- 41 1890.52 cm-1 View
- 42 2944.43 cm-1 View
- 43 2959.51 cm-1 View
- 44 2967.59 cm-1 View
- 45 3024.12 cm-1 View
- 46 3035.84 cm-1 View
- 47 3042.96 cm-1 View
- 48 3046.21 cm-1 View
- 49 3070.35 cm-1 View
- 50 3078.41 cm-1 View
- 51 3169.47 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 |