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 | 419.64 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 429.56 | 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 | 100.90 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 134.16 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 167.26 | J mol-1 K-1 |
| Rotational | 116.54 | J mol-1 K-1 |
| Vibrational | 71.59 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 355.39 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -49.36 | kJ mol-1 |
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 126.85 cm-1 View
- 2 184.78 cm-1 View
- 3 237.68 cm-1 View
- 4 273.86 cm-1 View
- 5 275.94 cm-1 View
- 6 360.97 cm-1 View
- 7 369.17 cm-1 View
- 8 428.21 cm-1 View
- 9 466.28 cm-1 View
- 10 486.89 cm-1 View
- 11 507.05 cm-1 View
- 12 632.68 cm-1 View
- 13 879.80 cm-1 View
- 14 931.19 cm-1 View
- 15 933.18 cm-1 View
- 16 965.02 cm-1 View
- 17 978.89 cm-1 View
- 18 978.94 cm-1 View
- 19 989.69 cm-1 View
- 20 1035.51 cm-1 View
- 21 1045.72 cm-1 View
- 22 1210.92 cm-1 View
- 23 1230.69 cm-1 View
- 24 1240.47 cm-1 View
- 25 1255.91 cm-1 View
- 26 1278.58 cm-1 View
- 27 1334.93 cm-1 View
- 28 1338.97 cm-1 View
- 29 1357.06 cm-1 View
- 30 1362.26 cm-1 View
- 31 1369.90 cm-1 View
- 32 1374.38 cm-1 View
- 33 1380.40 cm-1 View
- 34 1382.35 cm-1 View
- 35 1395.61 cm-1 View
- 36 1399.11 cm-1 View
- 37 2022.88 cm-1 View
- 38 2235.12 cm-1 View
- 39 2954.82 cm-1 View
- 40 3047.15 cm-1 View
- 41 3051.37 cm-1 View
- 42 3054.45 cm-1 View
- 43 3062.69 cm-1 View
- 44 3064.35 cm-1 View
- 45 3105.72 cm-1 View
- 46 3106.09 cm-1 View
- 47 3111.42 cm-1 View
- 48 3134.05 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 |