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 | 425.44 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 435.36 | 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 | 123.16 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 156.42 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 169.84 | J mol-1 K-1 |
| Rotational | 120.92 | J mol-1 K-1 |
| Vibrational | 115.26 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 406.01 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -760.04 | kJ mol-1 |
Molecular Orbitals
- 1 -551.36 eV View
- 2 -551.20 eV View
- 3 -551.12 eV View
- 4 -551.00 eV View
- 5 -303.42 eV View
- 6 -302.29 eV View
- 7 -302.03 eV View
- 8 -301.75 eV View
- 9 -301.07 eV View
- 10 -36.94 eV View
- 11 -35.60 eV View
- 12 -35.22 eV View
- 13 -34.34 eV View
- 14 -27.36 eV View
- 15 -26.24 eV View
- 16 -23.24 eV View
- 17 -21.00 eV View
- 18 -20.09 eV View
- 19 -18.25 eV View
- 20 -17.68 eV View
- 21 -16.61 eV View
- 22 -16.48 eV View
- 23 -15.80 eV View
- 24 -15.18 eV View
- 25 -14.77 eV View
- 26 -13.82 eV View
- 27 -13.58 eV View
- 28 -12.81 eV View
- 29 -12.05 eV View
- 30 -11.62 eV View
- 31 -11.08 eV View
- 32 -10.44 eV View
- 33 -10.00 eV View
- 34 -9.91 eV View
- 35 -9.53 eV View
- 36 -8.61 eV View
- 37 13.25 eV View
- 38 14.03 eV View
- 39 14.41 eV View
- 40 15.68 eV View
- 41 16.23 eV View
- 42 16.99 eV View
- 43 17.68 eV View
- 44 17.80 eV View
- 45 18.49 eV View
- 46 18.88 eV View
- 47 19.00 eV View
- 48 19.77 eV View
- 49 19.99 eV View
- 50 20.28 eV View
- 51 20.63 eV View
- 52 20.88 eV View
- 53 21.59 eV View
- 54 22.05 eV View
- 55 22.49 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 53.07 cm-1 View
- 2 75.48 cm-1 View
- 3 95.53 cm-1 View
- 4 151.87 cm-1 View
- 5 214.91 cm-1 View
- 6 233.38 cm-1 View
- 7 278.17 cm-1 View
- 8 337.67 cm-1 View
- 9 358.73 cm-1 View
- 10 414.03 cm-1 View
- 11 459.28 cm-1 View
- 12 507.53 cm-1 View
- 13 547.65 cm-1 View
- 14 711.30 cm-1 View
- 15 766.72 cm-1 View
- 16 840.89 cm-1 View
- 17 908.98 cm-1 View
- 18 945.41 cm-1 View
- 19 959.10 cm-1 View
- 20 1002.52 cm-1 View
- 21 1024.79 cm-1 View
- 22 1045.42 cm-1 View
- 23 1050.08 cm-1 View
- 24 1073.06 cm-1 View
- 25 1094.20 cm-1 View
- 26 1112.65 cm-1 View
- 27 1131.33 cm-1 View
- 28 1148.50 cm-1 View
- 29 1182.22 cm-1 View
- 30 1194.63 cm-1 View
- 31 1251.28 cm-1 View
- 32 1268.16 cm-1 View
- 33 1285.00 cm-1 View
- 34 1335.54 cm-1 View
- 35 1345.09 cm-1 View
- 36 1377.90 cm-1 View
- 37 1384.35 cm-1 View
- 38 1395.05 cm-1 View
- 39 1398.46 cm-1 View
- 40 1409.56 cm-1 View
- 41 1431.37 cm-1 View
- 42 2834.05 cm-1 View
- 43 2851.23 cm-1 View
- 44 2898.00 cm-1 View
- 45 2935.79 cm-1 View
- 46 2988.04 cm-1 View
- 47 3028.87 cm-1 View
- 48 3061.54 cm-1 View
- 49 3878.18 cm-1 View
- 50 3888.91 cm-1 View
- 51 3902.58 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -11.08 | kJ mol-1 |
| Polar Solvation Energy | -28.36 | kJ mol-1 |
| Nonpolar Solvation Energy | 17.26 | kJ mol-1 |
| Surface Area | 116.50 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 1.64 | Debye |