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 | 249.52 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 259.44 | 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 | 109.29 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 142.55 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 171.88 | J mol-1 K-1 |
| Rotational | 126.20 | J mol-1 K-1 |
| Vibrational | 103.98 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 402.07 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -658.34 | kJ mol-1 |
Molecular Orbitals
- 1 -1852.31 eV View
- 2 -706.95 eV View
- 3 -703.91 eV View
- 4 -548.90 eV View
- 5 -302.96 eV View
- 6 -301.09 eV View
- 7 -301.07 eV View
- 8 -300.71 eV View
- 9 -300.70 eV View
- 10 -300.09 eV View
- 11 -165.45 eV View
- 12 -111.77 eV View
- 13 -111.71 eV View
- 14 -111.70 eV View
- 15 -41.73 eV View
- 16 -40.15 eV View
- 17 -32.56 eV View
- 18 -30.40 eV View
- 19 -26.83 eV View
- 20 -26.47 eV View
- 21 -21.97 eV View
- 22 -21.27 eV View
- 23 -18.62 eV View
- 24 -17.00 eV View
- 25 -16.94 eV View
- 26 -15.82 eV View
- 27 -15.55 eV View
- 28 -15.27 eV View
- 29 -14.83 eV View
- 30 -13.83 eV View
- 31 -13.78 eV View
- 32 -13.48 eV View
- 33 -12.52 eV View
- 34 -12.45 eV View
- 35 -11.81 eV View
- 36 -10.42 eV View
- 37 -9.27 eV View
- 38 -8.93 eV View
- 39 -8.45 eV View
- 40 -7.37 eV View
- 41 4.91 eV View
- 42 6.58 eV View
- 43 7.97 eV View
- 44 8.84 eV View
- 45 13.16 eV View
- 46 13.29 eV View
- 47 14.49 eV View
- 48 16.42 eV View
- 49 16.79 eV View
- 50 17.99 eV View
- 51 18.26 eV View
- 52 19.94 eV View
- 53 21.85 eV View
- 54 23.34 eV View
- 55 23.74 eV View
- 56 24.12 eV View
- 57 28.92 eV View
- 58 30.05 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 41.04 cm-1 View
- 2 79.76 cm-1 View
- 3 112.02 cm-1 View
- 4 222.64 cm-1 View
- 5 234.44 cm-1 View
- 6 281.84 cm-1 View
- 7 334.98 cm-1 View
- 8 357.08 cm-1 View
- 9 366.06 cm-1 View
- 10 456.19 cm-1 View
- 11 519.49 cm-1 View
- 12 620.94 cm-1 View
- 13 637.65 cm-1 View
- 14 674.16 cm-1 View
- 15 849.98 cm-1 View
- 16 866.01 cm-1 View
- 17 881.81 cm-1 View
- 18 919.55 cm-1 View
- 19 980.80 cm-1 View
- 20 994.93 cm-1 View
- 21 1045.16 cm-1 View
- 22 1054.18 cm-1 View
- 23 1131.18 cm-1 View
- 24 1158.20 cm-1 View
- 25 1171.09 cm-1 View
- 26 1213.93 cm-1 View
- 27 1314.06 cm-1 View
- 28 1450.74 cm-1 View
- 29 1524.58 cm-1 View
- 30 1680.76 cm-1 View
- 31 1767.30 cm-1 View
- 32 1805.34 cm-1 View
- 33 3036.43 cm-1 View
- 34 3041.67 cm-1 View
- 35 3072.31 cm-1 View
- 36 3075.36 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 |