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 | 321.03 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 330.95 | 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 | 77.59 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 110.85 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 165.41 | J mol-1 K-1 |
| Rotational | 110.41 | J mol-1 K-1 |
| Vibrational | 59.36 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 335.18 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 669.18 | kJ mol-1 |
Molecular Orbitals
- 1 -2828.28 eV View
- 2 -429.89 eV View
- 3 -308.38 eV View
- 4 -308.38 eV View
- 5 -308.37 eV View
- 6 -289.19 eV View
- 7 -219.62 eV View
- 8 -219.42 eV View
- 9 -219.42 eV View
- 10 -41.62 eV View
- 11 -33.59 eV View
- 12 -31.93 eV View
- 13 -31.93 eV View
- 14 -27.97 eV View
- 15 -23.59 eV View
- 16 -23.59 eV View
- 17 -23.48 eV View
- 18 -20.90 eV View
- 19 -20.90 eV View
- 20 -19.93 eV View
- 21 -19.81 eV View
- 22 -19.81 eV View
- 23 -19.02 eV View
- 24 -17.07 eV View
- 25 -17.07 eV View
- 26 0.00 eV View
- 27 6.90 eV View
- 28 7.91 eV View
- 29 7.91 eV View
- 30 11.96 eV View
- 31 11.96 eV View
- 32 12.33 eV View
- 33 12.64 eV View
- 34 12.93 eV View
- 35 12.93 eV View
- 36 13.25 eV View
- 37 14.03 eV View
- 38 14.03 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 150.79 cm-1 View
- 2 188.45 cm-1 View
- 3 188.45 cm-1 View
- 4 287.08 cm-1 View
- 5 287.08 cm-1 View
- 6 385.26 cm-1 View
- 7 427.24 cm-1 View
- 8 427.24 cm-1 View
- 9 749.14 cm-1 View
- 10 879.76 cm-1 View
- 11 926.31 cm-1 View
- 12 926.31 cm-1 View
- 13 956.30 cm-1 View
- 14 987.24 cm-1 View
- 15 987.24 cm-1 View
- 16 1189.78 cm-1 View
- 17 1189.78 cm-1 View
- 18 1193.30 cm-1 View
- 19 1310.88 cm-1 View
- 20 1318.89 cm-1 View
- 21 1318.89 cm-1 View
- 22 1341.38 cm-1 View
- 23 1346.71 cm-1 View
- 24 1346.71 cm-1 View
- 25 1353.91 cm-1 View
- 26 1353.91 cm-1 View
- 27 1361.46 cm-1 View
- 28 3029.72 cm-1 View
- 29 3030.29 cm-1 View
- 30 3030.29 cm-1 View
- 31 3032.06 cm-1 View
- 32 3033.29 cm-1 View
- 33 3033.29 cm-1 View
- 34 3104.88 cm-1 View
- 35 3104.88 cm-1 View
- 36 3105.74 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 | 1 | |
| Dipole | 0.00 | Debye |