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 | 358.96 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 368.88 | 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 | 81.05 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 114.30 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 168.46 | J mol-1 K-1 |
| Rotational | 117.54 | J mol-1 K-1 |
| Vibrational | 55.28 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 341.27 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -259.20 | kJ mol-1 |
Molecular Orbitals
- 1 -2818.84 eV View
- 2 -551.87 eV View
- 3 -303.54 eV View
- 4 -302.22 eV View
- 5 -301.18 eV View
- 6 -301.07 eV View
- 7 -301.00 eV View
- 8 -280.15 eV View
- 9 -210.56 eV View
- 10 -210.41 eV View
- 11 -210.41 eV View
- 12 -36.27 eV View
- 13 -28.98 eV View
- 14 -28.44 eV View
- 15 -25.79 eV View
- 16 -23.04 eV View
- 17 -21.98 eV View
- 18 -20.31 eV View
- 19 -17.34 eV View
- 20 -16.66 eV View
- 21 -16.14 eV View
- 22 -15.96 eV View
- 23 -14.94 eV View
- 24 -13.74 eV View
- 25 -13.53 eV View
- 26 -13.02 eV View
- 27 -12.39 eV View
- 28 -11.47 eV View
- 29 -10.42 eV View
- 30 -9.92 eV View
- 31 -9.71 eV View
- 32 -9.08 eV View
- 33 10.23 eV View
- 34 14.14 eV View
- 35 15.27 eV View
- 36 16.22 eV View
- 37 16.36 eV View
- 38 16.84 eV View
- 39 17.83 eV View
- 40 18.14 eV View
- 41 19.12 eV View
- 42 19.47 eV View
- 43 20.01 eV View
- 44 20.16 eV View
- 45 20.51 eV View
- 46 20.94 eV View
- 47 21.49 eV View
- 48 22.02 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 108.41 cm-1 View
- 2 216.74 cm-1 View
- 3 252.29 cm-1 View
- 4 285.38 cm-1 View
- 5 356.17 cm-1 View
- 6 481.30 cm-1 View
- 7 491.92 cm-1 View
- 8 575.34 cm-1 View
- 9 764.50 cm-1 View
- 10 853.42 cm-1 View
- 11 910.24 cm-1 View
- 12 937.87 cm-1 View
- 13 958.63 cm-1 View
- 14 981.01 cm-1 View
- 15 994.42 cm-1 View
- 16 1055.85 cm-1 View
- 17 1077.38 cm-1 View
- 18 1081.85 cm-1 View
- 19 1119.05 cm-1 View
- 20 1129.21 cm-1 View
- 21 1135.36 cm-1 View
- 22 1141.15 cm-1 View
- 23 1149.73 cm-1 View
- 24 1170.65 cm-1 View
- 25 1266.47 cm-1 View
- 26 1298.19 cm-1 View
- 27 1325.19 cm-1 View
- 28 1347.19 cm-1 View
- 29 1356.84 cm-1 View
- 30 1371.99 cm-1 View
- 31 1399.53 cm-1 View
- 32 1408.68 cm-1 View
- 33 1415.16 cm-1 View
- 34 2877.32 cm-1 View
- 35 2943.10 cm-1 View
- 36 2959.97 cm-1 View
- 37 2971.25 cm-1 View
- 38 2976.35 cm-1 View
- 39 3039.91 cm-1 View
- 40 3042.35 cm-1 View
- 41 3048.64 cm-1 View
- 42 3052.41 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 |