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 | 109.34 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 119.26 | 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 | 84.23 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 117.49 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 169.45 | J mol-1 K-1 |
| Rotational | 117.06 | J mol-1 K-1 |
| Vibrational | 88.26 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 374.76 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -591.48 | kJ mol-1 |
Molecular Orbitals
- 1 -2479.55 eV View
- 2 -2479.55 eV View
- 3 -552.58 eV View
- 4 -552.58 eV View
- 5 -548.51 eV View
- 6 -548.50 eV View
- 7 -244.45 eV View
- 8 -244.41 eV View
- 9 -180.10 eV View
- 10 -180.09 eV View
- 11 -180.06 eV View
- 12 -180.03 eV View
- 13 -179.99 eV View
- 14 -179.96 eV View
- 15 -37.11 eV View
- 16 -36.86 eV View
- 17 -34.05 eV View
- 18 -34.00 eV View
- 19 -24.74 eV View
- 20 -22.11 eV View
- 21 -17.44 eV View
- 22 -16.61 eV View
- 23 -15.68 eV View
- 24 -14.99 eV View
- 25 -14.61 eV View
- 26 -13.37 eV View
- 27 -11.96 eV View
- 28 -11.37 eV View
- 29 -11.33 eV View
- 30 -10.25 eV View
- 31 -8.77 eV View
- 32 -8.56 eV View
- 33 -5.68 eV View
- 34 3.16 eV View
- 35 7.13 eV View
- 36 8.65 eV View
- 37 13.43 eV View
- 38 14.60 eV View
- 39 17.63 eV View
- 40 17.66 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 38.82 cm-1 View
- 2 138.49 cm-1 View
- 3 162.19 cm-1 View
- 4 210.37 cm-1 View
- 5 287.35 cm-1 View
- 6 308.63 cm-1 View
- 7 324.55 cm-1 View
- 8 336.99 cm-1 View
- 9 360.46 cm-1 View
- 10 383.03 cm-1 View
- 11 717.47 cm-1 View
- 12 783.00 cm-1 View
- 13 902.76 cm-1 View
- 14 904.46 cm-1 View
- 15 1196.44 cm-1 View
- 16 1198.07 cm-1 View
- 17 3847.89 cm-1 View
- 18 3849.80 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -33.37 | kJ mol-1 |
| Polar Solvation Energy | -47.07 | kJ mol-1 |
| Nonpolar Solvation Energy | 13.67 | kJ mol-1 |
| Surface Area | 112.99 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 3.16 | Debye |