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 | 330.61 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 340.52 | 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 | 111.25 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 144.51 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 170.20 | J mol-1 K-1 |
| Rotational | 122.86 | J mol-1 K-1 |
| Vibrational | 99.01 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 392.08 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -456.57 | kJ mol-1 |
Molecular Orbitals
- 1 -552.69 eV View
- 2 -551.99 eV View
- 3 -550.78 eV View
- 4 -303.92 eV View
- 5 -302.45 eV View
- 6 -300.74 eV View
- 7 -300.70 eV View
- 8 -300.64 eV View
- 9 -300.34 eV View
- 10 -300.19 eV View
- 11 -37.55 eV View
- 12 -36.63 eV View
- 13 -34.28 eV View
- 14 -30.01 eV View
- 15 -26.89 eV View
- 16 -26.03 eV View
- 17 -22.47 eV View
- 18 -21.53 eV View
- 19 -19.82 eV View
- 20 -18.32 eV View
- 21 -17.36 eV View
- 22 -16.44 eV View
- 23 -15.81 eV View
- 24 -15.60 eV View
- 25 -15.17 eV View
- 26 -14.30 eV View
- 27 -14.14 eV View
- 28 -13.57 eV View
- 29 -12.52 eV View
- 30 -12.39 eV View
- 31 -11.65 eV View
- 32 -11.56 eV View
- 33 -9.16 eV View
- 34 -9.09 eV View
- 35 -8.14 eV View
- 36 -7.01 eV View
- 37 6.62 eV View
- 38 7.15 eV View
- 39 8.58 eV View
- 40 13.09 eV View
- 41 14.58 eV View
- 42 15.88 eV View
- 43 16.40 eV View
- 44 17.02 eV View
- 45 18.36 eV View
- 46 18.98 eV View
- 47 19.52 eV View
- 48 19.66 eV View
- 49 21.19 eV View
- 50 23.32 eV View
- 51 23.58 eV View
- 52 24.12 eV View
- 53 24.47 eV View
- 54 27.28 eV View
- 55 29.35 eV View
- 56 30.82 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 24.90 cm-1 View
- 2 108.79 cm-1 View
- 3 170.76 cm-1 View
- 4 205.02 cm-1 View
- 5 297.74 cm-1 View
- 6 317.72 cm-1 View
- 7 339.11 cm-1 View
- 8 439.28 cm-1 View
- 9 475.64 cm-1 View
- 10 514.06 cm-1 View
- 11 520.55 cm-1 View
- 12 530.63 cm-1 View
- 13 589.06 cm-1 View
- 14 712.59 cm-1 View
- 15 751.46 cm-1 View
- 16 779.86 cm-1 View
- 17 805.40 cm-1 View
- 18 882.30 cm-1 View
- 19 889.31 cm-1 View
- 20 959.36 cm-1 View
- 21 1008.63 cm-1 View
- 22 1100.01 cm-1 View
- 23 1116.77 cm-1 View
- 24 1153.10 cm-1 View
- 25 1190.29 cm-1 View
- 26 1227.71 cm-1 View
- 27 1245.07 cm-1 View
- 28 1283.79 cm-1 View
- 29 1371.18 cm-1 View
- 30 1411.15 cm-1 View
- 31 1455.75 cm-1 View
- 32 1580.06 cm-1 View
- 33 1629.75 cm-1 View
- 34 1786.03 cm-1 View
- 35 1800.02 cm-1 View
- 36 1988.09 cm-1 View
- 37 3051.59 cm-1 View
- 38 3054.59 cm-1 View
- 39 3063.71 cm-1 View
- 40 3077.08 cm-1 View
- 41 3853.66 cm-1 View
- 42 3885.09 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -19.82 | kJ mol-1 |
| Polar Solvation Energy | -30.76 | kJ mol-1 |
| Nonpolar Solvation Energy | 10.95 | kJ mol-1 |
| Surface Area | 128.54 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 3.89 | Debye |