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 | 309.60 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 319.52 | 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 | 103.72 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 136.97 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 171.96 | J mol-1 K-1 |
| Rotational | 127.30 | J mol-1 K-1 |
| Vibrational | 89.78 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 389.03 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 88.72 | kJ mol-1 |
Molecular Orbitals
- 1 -2819.76 eV View
- 2 -553.92 eV View
- 3 -553.92 eV View
- 4 -419.45 eV View
- 5 -302.40 eV View
- 6 -301.74 eV View
- 7 -300.48 eV View
- 8 -300.20 eV View
- 9 -300.05 eV View
- 10 -300.02 eV View
- 11 -280.97 eV View
- 12 -211.39 eV View
- 13 -211.23 eV View
- 14 -211.22 eV View
- 15 -38.22 eV View
- 16 -35.52 eV View
- 17 -30.87 eV View
- 18 -29.28 eV View
- 19 -27.64 eV View
- 20 -25.39 eV View
- 21 -24.57 eV View
- 22 -21.07 eV View
- 23 -20.13 eV View
- 24 -18.05 eV View
- 25 -17.65 eV View
- 26 -16.30 eV View
- 27 -16.08 eV View
- 28 -15.70 eV View
- 29 -15.62 eV View
- 30 -14.82 eV View
- 31 -14.10 eV View
- 32 -13.35 eV View
- 33 -12.67 eV View
- 34 -12.51 eV View
- 35 -12.37 eV View
- 36 -11.68 eV View
- 37 -11.10 eV View
- 38 -10.03 eV View
- 39 -9.16 eV View
- 40 -7.51 eV View
- 41 -5.77 eV View
- 42 7.01 eV View
- 43 7.34 eV View
- 44 10.52 eV View
- 45 11.83 eV View
- 46 13.46 eV View
- 47 13.96 eV View
- 48 14.60 eV View
- 49 16.57 eV View
- 50 17.43 eV View
- 51 18.52 eV View
- 52 19.40 eV View
- 53 19.86 eV View
- 54 20.01 eV View
- 55 23.16 eV View
- 56 23.63 eV View
- 57 24.20 eV View
- 58 24.51 eV View
- 59 29.34 eV View
- 60 30.60 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 7.79 cm-1 View
- 2 9.95 cm-1 View
- 3 15.33 cm-1 View
- 4 43.32 cm-1 View
- 5 143.31 cm-1 View
- 6 158.71 cm-1 View
- 7 176.07 cm-1 View
- 8 282.26 cm-1 View
- 9 359.76 cm-1 View
- 10 392.73 cm-1 View
- 11 397.01 cm-1 View
- 12 477.91 cm-1 View
- 13 522.45 cm-1 View
- 14 526.24 cm-1 View
- 15 621.81 cm-1 View
- 16 675.11 cm-1 View
- 17 750.28 cm-1 View
- 18 803.08 cm-1 View
- 19 905.26 cm-1 View
- 20 912.10 cm-1 View
- 21 954.68 cm-1 View
- 22 970.52 cm-1 View
- 23 992.25 cm-1 View
- 24 1080.93 cm-1 View
- 25 1113.94 cm-1 View
- 26 1151.72 cm-1 View
- 27 1180.22 cm-1 View
- 28 1238.09 cm-1 View
- 29 1330.30 cm-1 View
- 30 1381.36 cm-1 View
- 31 1446.54 cm-1 View
- 32 1545.51 cm-1 View
- 33 1550.59 cm-1 View
- 34 1625.46 cm-1 View
- 35 1761.36 cm-1 View
- 36 1780.38 cm-1 View
- 37 3053.93 cm-1 View
- 38 3061.38 cm-1 View
- 39 3066.11 cm-1 View
- 40 3078.12 cm-1 View
- 41 3882.38 cm-1 View
- 42 3901.07 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 |