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 | 308.10 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 318.02 | 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 | 49.10 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 82.36 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 159.82 | J mol-1 K-1 |
| Rotational | 101.20 | J mol-1 K-1 |
| Vibrational | 40.93 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 301.95 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 1783.08 | kJ mol-1 |
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 130.74 cm-1 View
- 2 155.17 cm-1 View
- 3 267.70 cm-1 View
- 4 330.70 cm-1 View
- 5 531.45 cm-1 View
- 6 904.36 cm-1 View
- 7 913.66 cm-1 View
- 8 970.49 cm-1 View
- 9 1064.86 cm-1 View
- 10 1071.09 cm-1 View
- 11 1110.90 cm-1 View
- 12 1131.99 cm-1 View
- 13 1157.32 cm-1 View
- 14 1248.01 cm-1 View
- 15 1248.33 cm-1 View
- 16 1586.00 cm-1 View
- 17 1589.59 cm-1 View
- 18 1703.94 cm-1 View
- 19 1704.97 cm-1 View
- 20 1706.33 cm-1 View
- 21 1706.38 cm-1 View
- 22 1839.98 cm-1 View
- 23 2874.06 cm-1 View
- 24 2881.73 cm-1 View
- 25 3361.76 cm-1 View
- 26 3362.55 cm-1 View
- 27 3374.99 cm-1 View
- 28 3375.33 cm-1 View
- 29 3514.70 cm-1 View
- 30 3518.87 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -872.45 | kJ mol-1 |
| Polar Solvation Energy | -886.67 | kJ mol-1 |
| Nonpolar Solvation Energy | 14.21 | kJ mol-1 |
| Surface Area | 81.14 | Å2 |
| Charge of Molecule | 2 | |
| Dipole | 0.00 | Debye |