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 | 489.38 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 499.30 | 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 | 124.99 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 158.25 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 170.38 | J mol-1 K-1 |
| Rotational | 124.31 | J mol-1 K-1 |
| Vibrational | 101.05 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 395.74 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 520.03 | kJ mol-1 |
Molecular Orbitals
- 1 -710.11 eV View
- 2 -429.50 eV View
- 3 -308.35 eV View
- 4 -306.28 eV View
- 5 -305.52 eV View
- 6 -304.57 eV View
- 7 -304.56 eV View
- 8 -304.55 eV View
- 9 -304.04 eV View
- 10 -304.00 eV View
- 11 -44.70 eV View
- 12 -41.14 eV View
- 13 -34.34 eV View
- 14 -32.51 eV View
- 15 -30.28 eV View
- 16 -29.77 eV View
- 17 -27.70 eV View
- 18 -26.55 eV View
- 19 -26.18 eV View
- 20 -25.31 eV View
- 21 -24.35 eV View
- 22 -22.54 eV View
- 23 -21.75 eV View
- 24 -20.69 eV View
- 25 -20.06 eV View
- 26 -19.40 eV View
- 27 -18.81 eV View
- 28 -18.64 eV View
- 29 -18.53 eV View
- 30 -18.43 eV View
- 31 -17.74 eV View
- 32 -16.68 eV View
- 33 -16.43 eV View
- 34 -15.85 eV View
- 35 -14.89 eV View
- 36 -11.83 eV View
- 37 -11.09 eV View
- 38 2.58 eV View
- 39 3.25 eV View
- 40 7.54 eV View
- 41 8.85 eV View
- 42 9.36 eV View
- 43 9.54 eV View
- 44 10.25 eV View
- 45 11.05 eV View
- 46 11.42 eV View
- 47 12.50 eV View
- 48 12.87 eV View
- 49 13.47 eV View
- 50 13.93 eV View
- 51 14.75 eV View
- 52 15.21 eV View
- 53 15.72 eV View
- 54 15.91 eV View
- 55 16.93 eV View
- 56 19.27 eV View
- 57 20.08 eV View
- 58 20.43 eV View
- 59 20.63 eV View
- 60 25.47 eV View
- 61 26.82 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 64.89 cm-1 View
- 2 91.61 cm-1 View
- 3 178.73 cm-1 View
- 4 219.07 cm-1 View
- 5 236.70 cm-1 View
- 6 256.41 cm-1 View
- 7 324.32 cm-1 View
- 8 366.30 cm-1 View
- 9 403.84 cm-1 View
- 10 450.99 cm-1 View
- 11 480.34 cm-1 View
- 12 545.98 cm-1 View
- 13 574.83 cm-1 View
- 14 644.31 cm-1 View
- 15 693.17 cm-1 View
- 16 770.92 cm-1 View
- 17 852.47 cm-1 View
- 18 867.19 cm-1 View
- 19 891.14 cm-1 View
- 20 963.60 cm-1 View
- 21 987.64 cm-1 View
- 22 995.98 cm-1 View
- 23 1005.28 cm-1 View
- 24 1007.64 cm-1 View
- 25 1051.48 cm-1 View
- 26 1060.37 cm-1 View
- 27 1084.79 cm-1 View
- 28 1130.76 cm-1 View
- 29 1146.31 cm-1 View
- 30 1172.16 cm-1 View
- 31 1178.95 cm-1 View
- 32 1225.50 cm-1 View
- 33 1240.48 cm-1 View
- 34 1338.41 cm-1 View
- 35 1350.15 cm-1 View
- 36 1368.53 cm-1 View
- 37 1401.25 cm-1 View
- 38 1406.86 cm-1 View
- 39 1514.58 cm-1 View
- 40 1546.87 cm-1 View
- 41 1594.44 cm-1 View
- 42 1696.93 cm-1 View
- 43 1719.93 cm-1 View
- 44 1726.03 cm-1 View
- 45 1756.95 cm-1 View
- 46 1800.81 cm-1 View
- 47 2811.30 cm-1 View
- 48 2992.27 cm-1 View
- 49 3033.59 cm-1 View
- 50 3037.81 cm-1 View
- 51 3052.16 cm-1 View
- 52 3055.67 cm-1 View
- 53 3072.11 cm-1 View
- 54 3155.50 cm-1 View
- 55 3389.82 cm-1 View
- 56 3402.49 cm-1 View
- 57 3557.92 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 | 1 | |
| Dipole | 0.00 | Debye |