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 | 109.28 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 119.20 | 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 | 84.31 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 117.56 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 169.45 | J mol-1 K-1 |
| Rotational | 117.07 | J mol-1 K-1 |
| Vibrational | 89.96 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 376.47 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -590.01 | kJ mol-1 |
Molecular Orbitals
- 1 -2479.59 eV View
- 2 -2479.59 eV View
- 3 -552.55 eV View
- 4 -552.55 eV View
- 5 -548.43 eV View
- 6 -548.43 eV View
- 7 -244.49 eV View
- 8 -244.44 eV View
- 9 -180.13 eV View
- 10 -180.13 eV View
- 11 -180.10 eV View
- 12 -180.07 eV View
- 13 -180.03 eV View
- 14 -180.00 eV View
- 15 -37.10 eV View
- 16 -36.85 eV View
- 17 -33.99 eV View
- 18 -33.92 eV View
- 19 -24.77 eV View
- 20 -22.16 eV View
- 21 -17.53 eV View
- 22 -16.36 eV View
- 23 -15.92 eV View
- 24 -15.00 eV View
- 25 -14.42 eV View
- 26 -13.46 eV View
- 27 -11.78 eV View
- 28 -11.70 eV View
- 29 -11.03 eV View
- 30 -10.20 eV View
- 31 -8.68 eV View
- 32 -8.57 eV View
- 33 -5.70 eV View
- 34 3.15 eV View
- 35 7.55 eV View
- 36 8.18 eV View
- 37 13.60 eV View
- 38 14.52 eV View
- 39 17.61 eV View
- 40 17.64 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 31.41 cm-1 View
- 2 142.14 cm-1 View
- 3 152.59 cm-1 View
- 4 247.75 cm-1 View
- 5 275.37 cm-1 View
- 6 296.52 cm-1 View
- 7 319.02 cm-1 View
- 8 337.71 cm-1 View
- 9 341.94 cm-1 View
- 10 389.83 cm-1 View
- 11 720.86 cm-1 View
- 12 785.54 cm-1 View
- 13 902.57 cm-1 View
- 14 907.00 cm-1 View
- 15 1192.33 cm-1 View
- 16 1196.44 cm-1 View
- 17 3846.49 cm-1 View
- 18 3847.61 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -30.36 | kJ mol-1 |
| Polar Solvation Energy | -48.43 | kJ mol-1 |
| Nonpolar Solvation Energy | 18.10 | kJ mol-1 |
| Surface Area | 114.27 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.54 | Debye |