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 | 261.87 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 271.79 | 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 | 61.08 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 94.33 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 164.87 | J mol-1 K-1 |
| Rotational | 108.90 | J mol-1 K-1 |
| Vibrational | 43.22 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 317.00 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 572.12 | kJ mol-1 |
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 141.13 cm-1 View
- 2 141.43 cm-1 View
- 3 269.96 cm-1 View
- 4 479.13 cm-1 View
- 5 479.13 cm-1 View
- 6 695.58 cm-1 View
- 7 804.95 cm-1 View
- 8 872.37 cm-1 View
- 9 872.47 cm-1 View
- 10 900.48 cm-1 View
- 11 900.60 cm-1 View
- 12 967.57 cm-1 View
- 13 1026.42 cm-1 View
- 14 1080.13 cm-1 View
- 15 1080.21 cm-1 View
- 16 1095.81 cm-1 View
- 17 1095.83 cm-1 View
- 18 1204.85 cm-1 View
- 19 1311.07 cm-1 View
- 20 1317.77 cm-1 View
- 21 1350.40 cm-1 View
- 22 1350.44 cm-1 View
- 23 1367.38 cm-1 View
- 24 1367.40 cm-1 View
- 25 3379.52 cm-1 View
- 26 3383.55 cm-1 View
- 27 3383.90 cm-1 View
- 28 3390.71 cm-1 View
- 29 3391.04 cm-1 View
- 30 3394.74 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -8.67 | kJ mol-1 |
| Polar Solvation Energy | -21.74 | kJ mol-1 |
| Nonpolar Solvation Energy | 13.08 | kJ mol-1 |
| Surface Area | 96.58 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.01 | Debye |