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 | 345.29 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 355.21 | 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 | 126.98 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 160.24 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 171.73 | J mol-1 K-1 |
| Rotational | 124.24 | J mol-1 K-1 |
| Vibrational | 110.20 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 406.16 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -908.56 | kJ mol-1 |
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 39.87 cm-1 View
- 2 46.57 cm-1 View
- 3 66.77 cm-1 View
- 4 163.33 cm-1 View
- 5 225.50 cm-1 View
- 6 263.32 cm-1 View
- 7 287.40 cm-1 View
- 8 335.12 cm-1 View
- 9 361.40 cm-1 View
- 10 372.21 cm-1 View
- 11 393.26 cm-1 View
- 12 442.55 cm-1 View
- 13 449.52 cm-1 View
- 14 483.49 cm-1 View
- 15 564.22 cm-1 View
- 16 617.96 cm-1 View
- 17 664.20 cm-1 View
- 18 740.10 cm-1 View
- 19 817.53 cm-1 View
- 20 875.22 cm-1 View
- 21 877.55 cm-1 View
- 22 914.63 cm-1 View
- 23 972.86 cm-1 View
- 24 1032.40 cm-1 View
- 25 1051.23 cm-1 View
- 26 1100.96 cm-1 View
- 27 1124.92 cm-1 View
- 28 1142.23 cm-1 View
- 29 1158.60 cm-1 View
- 30 1219.05 cm-1 View
- 31 1262.13 cm-1 View
- 32 1331.82 cm-1 View
- 33 1340.06 cm-1 View
- 34 1377.66 cm-1 View
- 35 1385.66 cm-1 View
- 36 1399.65 cm-1 View
- 37 1405.81 cm-1 View
- 38 2889.69 cm-1 View
- 39 2952.82 cm-1 View
- 40 3011.16 cm-1 View
- 41 3081.51 cm-1 View
- 42 3088.24 cm-1 View
- 43 3716.20 cm-1 View
- 44 3839.54 cm-1 View
- 45 3848.98 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -34.07 | kJ mol-1 |
| Polar Solvation Energy | -55.11 | kJ mol-1 |
| Nonpolar Solvation Energy | 21.03 | kJ mol-1 |
| Surface Area | 127.95 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 2.51 | Debye |