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 | 433.67 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 443.58 | 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 | 133.16 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 166.42 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 165.68 | J mol-1 K-1 |
| Rotational | 116.90 | J mol-1 K-1 |
| Vibrational | 167.78 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 450.37 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 143.67 | kJ mol-1 |
Molecular Orbitals
- 1 -301.59 eV View
- 2 -300.56 eV View
- 3 -300.51 eV View
- 4 -300.27 eV View
- 5 -299.37 eV View
- 6 -299.04 eV View
- 7 -298.61 eV View
- 8 -29.30 eV View
- 9 -26.75 eV View
- 10 -25.34 eV View
- 11 -24.13 eV View
- 12 -22.53 eV View
- 13 -19.02 eV View
- 14 -17.63 eV View
- 15 -16.46 eV View
- 16 -16.31 eV View
- 17 -16.15 eV View
- 18 -15.16 eV View
- 19 -14.54 eV View
- 20 -13.99 eV View
- 21 -13.71 eV View
- 22 -13.03 eV View
- 23 -12.51 eV View
- 24 -11.77 eV View
- 25 -8.90 eV View
- 26 -8.82 eV View
- 27 -8.03 eV View
- 28 8.58 eV View
- 29 10.87 eV View
- 30 10.98 eV View
- 31 15.44 eV View
- 32 16.36 eV View
- 33 17.11 eV View
- 34 18.52 eV View
- 35 18.70 eV View
- 36 19.06 eV View
- 37 19.15 eV View
- 38 19.36 eV View
- 39 19.76 eV View
- 40 19.94 eV View
- 41 20.57 eV View
- 42 20.97 eV View
- 43 21.13 eV View
- 44 21.63 eV View
- 45 25.74 eV View
- 46 28.62 eV View
- 47 41.33 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 15.19 cm-1 View
- 2 26.70 cm-1 View
- 3 31.32 cm-1 View
- 4 36.22 cm-1 View
- 5 60.78 cm-1 View
- 6 117.15 cm-1 View
- 7 170.84 cm-1 View
- 8 188.30 cm-1 View
- 9 200.05 cm-1 View
- 10 242.98 cm-1 View
- 11 284.49 cm-1 View
- 12 390.24 cm-1 View
- 13 436.85 cm-1 View
- 14 520.87 cm-1 View
- 15 572.00 cm-1 View
- 16 601.97 cm-1 View
- 17 656.99 cm-1 View
- 18 850.77 cm-1 View
- 19 859.99 cm-1 View
- 20 873.96 cm-1 View
- 21 951.16 cm-1 View
- 22 956.34 cm-1 View
- 23 980.31 cm-1 View
- 24 1004.29 cm-1 View
- 25 1018.08 cm-1 View
- 26 1042.33 cm-1 View
- 27 1078.33 cm-1 View
- 28 1101.80 cm-1 View
- 29 1209.03 cm-1 View
- 30 1295.43 cm-1 View
- 31 1333.51 cm-1 View
- 32 1375.91 cm-1 View
- 33 1391.83 cm-1 View
- 34 1395.83 cm-1 View
- 35 1403.72 cm-1 View
- 36 1406.02 cm-1 View
- 37 1408.15 cm-1 View
- 38 1458.32 cm-1 View
- 39 1875.00 cm-1 View
- 40 2321.56 cm-1 View
- 41 2840.13 cm-1 View
- 42 3062.38 cm-1 View
- 43 3073.48 cm-1 View
- 44 3074.42 cm-1 View
- 45 3087.09 cm-1 View
- 46 3129.46 cm-1 View
- 47 3136.20 cm-1 View
- 48 3166.13 cm-1 View
- 49 3176.00 cm-1 View
- 50 3358.68 cm-1 View
- 51 4473.20 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 25.43 | kJ mol-1 |
| Polar Solvation Energy | -5.01 | kJ mol-1 |
| Nonpolar Solvation Energy | 30.43 | kJ mol-1 |
| Surface Area | 118.88 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.58 | Debye |