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 | 219.74 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 229.66 | 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 | 94.22 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 127.48 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 170.20 | J mol-1 K-1 |
| Rotational | 121.73 | J mol-1 K-1 |
| Vibrational | 96.71 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 388.63 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -480.41 | kJ mol-1 |
Molecular Orbitals
- 1 -2821.21 eV View
- 2 -708.21 eV View
- 3 -552.50 eV View
- 4 -551.59 eV View
- 5 -304.50 eV View
- 6 -303.08 eV View
- 7 -302.63 eV View
- 8 -301.06 eV View
- 9 -282.33 eV View
- 10 -212.75 eV View
- 11 -212.58 eV View
- 12 -212.57 eV View
- 13 -42.86 eV View
- 14 -36.67 eV View
- 15 -35.81 eV View
- 16 -30.36 eV View
- 17 -27.80 eV View
- 18 -23.73 eV View
- 19 -22.39 eV View
- 20 -19.32 eV View
- 21 -18.07 eV View
- 22 -17.09 eV View
- 23 -16.91 eV View
- 24 -16.49 eV View
- 25 -15.78 eV View
- 26 -15.12 eV View
- 27 -14.11 eV View
- 28 -13.26 eV View
- 29 -12.99 eV View
- 30 -11.93 eV View
- 31 -11.75 eV View
- 32 -11.32 eV View
- 33 -10.14 eV View
- 34 -9.35 eV View
- 35 -8.09 eV View
- 36 5.37 eV View
- 37 9.82 eV View
- 38 10.62 eV View
- 39 13.96 eV View
- 40 16.19 eV View
- 41 16.58 eV View
- 42 17.90 eV View
- 43 18.56 eV View
- 44 19.33 eV View
- 45 20.76 eV View
- 46 23.02 eV View
- 47 23.86 eV View
- 48 28.27 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 56.75 cm-1 View
- 2 76.04 cm-1 View
- 3 105.68 cm-1 View
- 4 187.60 cm-1 View
- 5 243.03 cm-1 View
- 6 288.71 cm-1 View
- 7 337.36 cm-1 View
- 8 356.49 cm-1 View
- 9 433.18 cm-1 View
- 10 452.73 cm-1 View
- 11 583.39 cm-1 View
- 12 672.69 cm-1 View
- 13 733.89 cm-1 View
- 14 916.55 cm-1 View
- 15 974.14 cm-1 View
- 16 1005.80 cm-1 View
- 17 1057.68 cm-1 View
- 18 1120.45 cm-1 View
- 19 1172.36 cm-1 View
- 20 1294.13 cm-1 View
- 21 1367.32 cm-1 View
- 22 1370.96 cm-1 View
- 23 1394.89 cm-1 View
- 24 1448.00 cm-1 View
- 25 1850.82 cm-1 View
- 26 1967.40 cm-1 View
- 27 2922.83 cm-1 View
- 28 2929.66 cm-1 View
- 29 3009.43 cm-1 View
- 30 3887.05 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 |