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 | 460.55 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 470.47 | 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 | 131.14 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 164.40 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 170.20 | J mol-1 K-1 |
| Rotational | 125.24 | J mol-1 K-1 |
| Vibrational | 104.98 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 400.42 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 180.37 | kJ mol-1 |
Molecular Orbitals
- 1 -417.96 eV View
- 2 -417.61 eV View
- 3 -417.27 eV View
- 4 -417.24 eV View
- 5 -301.44 eV View
- 6 -301.44 eV View
- 7 -301.44 eV View
- 8 -299.33 eV View
- 9 -299.29 eV View
- 10 -299.28 eV View
- 11 -33.23 eV View
- 12 -31.66 eV View
- 13 -31.20 eV View
- 14 -28.79 eV View
- 15 -26.96 eV View
- 16 -25.04 eV View
- 17 -24.61 eV View
- 18 -20.71 eV View
- 19 -20.31 eV View
- 20 -18.05 eV View
- 21 -17.54 eV View
- 22 -16.69 eV View
- 23 -16.35 eV View
- 24 -15.96 eV View
- 25 -15.24 eV View
- 26 -14.73 eV View
- 27 -14.53 eV View
- 28 -13.72 eV View
- 29 -13.29 eV View
- 30 -12.78 eV View
- 31 -11.94 eV View
- 32 -11.86 eV View
- 33 -11.43 eV View
- 34 -9.86 eV View
- 35 -7.93 eV View
- 36 -6.21 eV View
- 37 -5.98 eV View
- 38 7.68 eV View
- 39 7.71 eV View
- 40 13.65 eV View
- 41 14.70 eV View
- 42 15.79 eV View
- 43 16.18 eV View
- 44 16.91 eV View
- 45 17.25 eV View
- 46 18.04 eV View
- 47 18.43 eV View
- 48 19.10 eV View
- 49 19.27 eV View
- 50 19.41 eV View
- 51 19.80 eV View
- 52 20.47 eV View
- 53 20.80 eV View
- 54 21.54 eV View
- 55 23.94 eV View
- 56 24.45 eV View
- 57 25.39 eV View
- 58 25.62 eV View
- 59 30.11 eV View
- 60 31.07 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 73.71 cm-1 View
- 2 171.24 cm-1 View
- 3 186.46 cm-1 View
- 4 199.42 cm-1 View
- 5 226.92 cm-1 View
- 6 242.75 cm-1 View
- 7 248.58 cm-1 View
- 8 260.06 cm-1 View
- 9 323.71 cm-1 View
- 10 420.49 cm-1 View
- 11 513.07 cm-1 View
- 12 527.71 cm-1 View
- 13 552.59 cm-1 View
- 14 564.23 cm-1 View
- 15 587.96 cm-1 View
- 16 622.20 cm-1 View
- 17 665.29 cm-1 View
- 18 865.16 cm-1 View
- 19 882.78 cm-1 View
- 20 886.25 cm-1 View
- 21 937.64 cm-1 View
- 22 981.17 cm-1 View
- 23 993.95 cm-1 View
- 24 1002.65 cm-1 View
- 25 1076.59 cm-1 View
- 26 1087.68 cm-1 View
- 27 1101.43 cm-1 View
- 28 1135.38 cm-1 View
- 29 1147.37 cm-1 View
- 30 1202.32 cm-1 View
- 31 1218.67 cm-1 View
- 32 1225.11 cm-1 View
- 33 1233.18 cm-1 View
- 34 1294.31 cm-1 View
- 35 1355.61 cm-1 View
- 36 1396.52 cm-1 View
- 37 1504.55 cm-1 View
- 38 1591.84 cm-1 View
- 39 1595.43 cm-1 View
- 40 1673.10 cm-1 View
- 41 1677.80 cm-1 View
- 42 1680.84 cm-1 View
- 43 1780.37 cm-1 View
- 44 1783.20 cm-1 View
- 45 3017.05 cm-1 View
- 46 3043.46 cm-1 View
- 47 3045.77 cm-1 View
- 48 3362.03 cm-1 View
- 49 3370.32 cm-1 View
- 50 3409.71 cm-1 View
- 51 3412.61 cm-1 View
- 52 3506.27 cm-1 View
- 53 3531.00 cm-1 View
- 54 3532.39 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -13.30 | kJ mol-1 |
| Polar Solvation Energy | -28.16 | kJ mol-1 |
| Nonpolar Solvation Energy | 14.84 | kJ mol-1 |
| Surface Area | 129.08 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.99 | Debye |