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 | 264.37 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 274.28 | 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 | 87.27 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 120.52 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 168.76 | J mol-1 K-1 |
| Rotational | 119.53 | J mol-1 K-1 |
| Vibrational | 104.50 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 392.80 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -371.87 | kJ mol-1 |
Molecular Orbitals
- 1 -2820.10 eV View
- 2 -552.47 eV View
- 3 -551.44 eV View
- 4 -418.66 eV View
- 5 -304.28 eV View
- 6 -303.75 eV View
- 7 -301.31 eV View
- 8 -281.29 eV View
- 9 -211.71 eV View
- 10 -211.56 eV View
- 11 -211.55 eV View
- 12 -37.90 eV View
- 13 -35.20 eV View
- 14 -32.30 eV View
- 15 -26.90 eV View
- 16 -25.77 eV View
- 17 -23.41 eV View
- 18 -19.73 eV View
- 19 -17.87 eV View
- 20 -17.06 eV View
- 21 -16.25 eV View
- 22 -15.84 eV View
- 23 -14.99 eV View
- 24 -14.51 eV View
- 25 -14.03 eV View
- 26 -12.79 eV View
- 27 -11.99 eV View
- 28 -11.59 eV View
- 29 -10.44 eV View
- 30 -9.54 eV View
- 31 -9.36 eV View
- 32 -8.65 eV View
- 33 8.07 eV View
- 34 9.08 eV View
- 35 14.19 eV View
- 36 16.08 eV View
- 37 16.62 eV View
- 38 17.35 eV View
- 39 18.10 eV View
- 40 18.77 eV View
- 41 19.08 eV View
- 42 19.33 eV View
- 43 20.15 eV View
- 44 21.54 eV View
- 45 27.45 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 30.57 cm-1 View
- 2 56.11 cm-1 View
- 3 84.09 cm-1 View
- 4 95.51 cm-1 View
- 5 264.96 cm-1 View
- 6 286.63 cm-1 View
- 7 315.48 cm-1 View
- 8 463.66 cm-1 View
- 9 556.75 cm-1 View
- 10 603.17 cm-1 View
- 11 839.37 cm-1 View
- 12 897.06 cm-1 View
- 13 905.18 cm-1 View
- 14 987.75 cm-1 View
- 15 1010.34 cm-1 View
- 16 1034.20 cm-1 View
- 17 1075.23 cm-1 View
- 18 1093.16 cm-1 View
- 19 1145.17 cm-1 View
- 20 1255.54 cm-1 View
- 21 1313.60 cm-1 View
- 22 1340.09 cm-1 View
- 23 1351.91 cm-1 View
- 24 1376.62 cm-1 View
- 25 1386.70 cm-1 View
- 26 1401.19 cm-1 View
- 27 1989.00 cm-1 View
- 28 2921.09 cm-1 View
- 29 2958.19 cm-1 View
- 30 3083.23 cm-1 View
- 31 3089.95 cm-1 View
- 32 3175.93 cm-1 View
- 33 3383.79 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 |