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 | 226.17 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 236.08 | 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 | 44.99 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 78.25 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 160.43 | J mol-1 K-1 |
| Rotational | 101.59 | J mol-1 K-1 |
| Vibrational | 31.61 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 293.63 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -243.46 | kJ mol-1 |
Molecular Orbitals
- 1 -705.14 eV View
- 2 -416.64 eV View
- 3 -303.40 eV View
- 4 -300.72 eV View
- 5 -40.53 eV View
- 6 -30.70 eV View
- 7 -26.05 eV View
- 8 -21.38 eV View
- 9 -17.68 eV View
- 10 -16.20 eV View
- 11 -15.72 eV View
- 12 -15.01 eV View
- 13 -13.96 eV View
- 14 -13.27 eV View
- 15 -11.36 eV View
- 16 -11.07 eV View
- 17 -8.94 eV View
- 18 15.06 eV View
- 19 15.93 eV View
- 20 17.38 eV View
- 21 18.40 eV View
- 22 19.43 eV View
- 23 19.80 eV View
- 24 20.20 eV View
- 25 20.61 eV View
- 26 21.51 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 175.50 cm-1 View
- 2 211.28 cm-1 View
- 3 382.95 cm-1 View
- 4 427.04 cm-1 View
- 5 535.49 cm-1 View
- 6 930.56 cm-1 View
- 7 978.84 cm-1 View
- 8 994.19 cm-1 View
- 9 1052.22 cm-1 View
- 10 1074.94 cm-1 View
- 11 1098.26 cm-1 View
- 12 1169.37 cm-1 View
- 13 1277.36 cm-1 View
- 14 1394.46 cm-1 View
- 15 1397.82 cm-1 View
- 16 1410.02 cm-1 View
- 17 1512.42 cm-1 View
- 18 1667.31 cm-1 View
- 19 2849.60 cm-1 View
- 20 3089.83 cm-1 View
- 21 3096.14 cm-1 View
- 22 3188.62 cm-1 View
- 23 3395.72 cm-1 View
- 24 3526.55 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 |