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 | 367.79 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 377.70 | 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 | 99.58 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 132.83 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 166.06 | J mol-1 K-1 |
| Rotational | 117.69 | J mol-1 K-1 |
| Vibrational | 92.51 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 376.27 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 131.25 | kJ mol-1 |
Molecular Orbitals
- 1 -417.55 eV View
- 2 -417.13 eV View
- 3 -417.08 eV View
- 4 -300.40 eV View
- 5 -300.40 eV View
- 6 -300.37 eV View
- 7 -300.37 eV View
- 8 -32.00 eV View
- 9 -31.06 eV View
- 10 -30.48 eV View
- 11 -25.72 eV View
- 12 -24.21 eV View
- 13 -19.84 eV View
- 14 -19.66 eV View
- 15 -17.81 eV View
- 16 -17.24 eV View
- 17 -15.80 eV View
- 18 -15.75 eV View
- 19 -14.29 eV View
- 20 -13.93 eV View
- 21 -13.26 eV View
- 22 -12.82 eV View
- 23 -12.39 eV View
- 24 -11.48 eV View
- 25 -10.54 eV View
- 26 -7.08 eV View
- 27 -5.10 eV View
- 28 8.78 eV View
- 29 9.83 eV View
- 30 14.63 eV View
- 31 16.00 eV View
- 32 16.67 eV View
- 33 17.74 eV View
- 34 18.02 eV View
- 35 18.69 eV View
- 36 18.98 eV View
- 37 19.46 eV View
- 38 20.51 eV View
- 39 20.78 eV View
- 40 21.44 eV View
- 41 24.85 eV View
- 42 26.31 eV View
- 43 27.65 eV View
- 44 28.42 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 59.10 cm-1 View
- 2 74.23 cm-1 View
- 3 136.84 cm-1 View
- 4 204.33 cm-1 View
- 5 249.11 cm-1 View
- 6 282.95 cm-1 View
- 7 336.50 cm-1 View
- 8 412.11 cm-1 View
- 9 443.74 cm-1 View
- 10 620.08 cm-1 View
- 11 682.92 cm-1 View
- 12 729.24 cm-1 View
- 13 766.51 cm-1 View
- 14 807.82 cm-1 View
- 15 907.18 cm-1 View
- 16 918.93 cm-1 View
- 17 1009.88 cm-1 View
- 18 1030.11 cm-1 View
- 19 1046.38 cm-1 View
- 20 1057.21 cm-1 View
- 21 1078.61 cm-1 View
- 22 1111.14 cm-1 View
- 23 1139.37 cm-1 View
- 24 1169.82 cm-1 View
- 25 1212.13 cm-1 View
- 26 1215.18 cm-1 View
- 27 1307.77 cm-1 View
- 28 1356.66 cm-1 View
- 29 1435.82 cm-1 View
- 30 1663.66 cm-1 View
- 31 1675.80 cm-1 View
- 32 1831.31 cm-1 View
- 33 1839.92 cm-1 View
- 34 3003.49 cm-1 View
- 35 3008.84 cm-1 View
- 36 3023.67 cm-1 View
- 37 3028.62 cm-1 View
- 38 3318.63 cm-1 View
- 39 3383.09 cm-1 View
- 40 3400.45 cm-1 View
- 41 3514.38 cm-1 View
- 42 3529.94 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -1.43 | kJ mol-1 |
| Polar Solvation Energy | -18.41 | kJ mol-1 |
| Nonpolar Solvation Energy | 17.01 | kJ mol-1 |
| Surface Area | 106.43 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 1.27 | Debye |