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.) | 429.55 | 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 | 100.91 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 134.17 | 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 | 71.65 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 355.45 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -49.38 | kJ mol-1 |
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 126.92 cm-1 View
- 2 183.69 cm-1 View
- 3 236.83 cm-1 View
- 4 273.81 cm-1 View
- 5 275.86 cm-1 View
- 6 361.28 cm-1 View
- 7 369.64 cm-1 View
- 8 428.05 cm-1 View
- 9 466.34 cm-1 View
- 10 486.87 cm-1 View
- 11 506.99 cm-1 View
- 12 632.70 cm-1 View
- 13 879.88 cm-1 View
- 14 931.14 cm-1 View
- 15 932.99 cm-1 View
- 16 964.93 cm-1 View
- 17 978.82 cm-1 View
- 18 978.93 cm-1 View
- 19 989.66 cm-1 View
- 20 1035.38 cm-1 View
- 21 1045.75 cm-1 View
- 22 1210.93 cm-1 View
- 23 1230.50 cm-1 View
- 24 1240.46 cm-1 View
- 25 1255.98 cm-1 View
- 26 1278.60 cm-1 View
- 27 1334.89 cm-1 View
- 28 1338.93 cm-1 View
- 29 1357.08 cm-1 View
- 30 1362.30 cm-1 View
- 31 1369.92 cm-1 View
- 32 1374.35 cm-1 View
- 33 1380.39 cm-1 View
- 34 1382.33 cm-1 View
- 35 1395.50 cm-1 View
- 36 1399.02 cm-1 View
- 37 2023.20 cm-1 View
- 38 2235.44 cm-1 View
- 39 2954.86 cm-1 View
- 40 3047.06 cm-1 View
- 41 3051.32 cm-1 View
- 42 3054.45 cm-1 View
- 43 3062.73 cm-1 View
- 44 3064.37 cm-1 View
- 45 3105.70 cm-1 View
- 46 3106.09 cm-1 View
- 47 3111.44 cm-1 View
- 48 3134.06 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 |