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 | 281.40 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 291.31 | 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 | 66.98 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 100.24 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 165.41 | J mol-1 K-1 |
| Rotational | 112.53 | J mol-1 K-1 |
| Vibrational | 37.16 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 315.10 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -90.58 | kJ mol-1 |
Molecular Orbitals
- 1 -552.27 eV View
- 2 -301.90 eV View
- 3 -300.30 eV View
- 4 -300.24 eV View
- 5 -299.98 eV View
- 6 -299.91 eV View
- 7 -299.85 eV View
- 8 -36.23 eV View
- 9 -29.57 eV View
- 10 -26.13 eV View
- 11 -25.57 eV View
- 12 -21.29 eV View
- 13 -20.63 eV View
- 14 -18.07 eV View
- 15 -16.88 eV View
- 16 -15.85 eV View
- 17 -14.78 eV View
- 18 -14.60 eV View
- 19 -13.94 eV View
- 20 -13.03 eV View
- 21 -12.10 eV View
- 22 -11.34 eV View
- 23 -11.31 eV View
- 24 -7.82 eV View
- 25 -6.67 eV View
- 26 7.23 eV View
- 27 7.53 eV View
- 28 13.74 eV View
- 29 15.08 eV View
- 30 16.26 eV View
- 31 17.14 eV View
- 32 18.18 eV View
- 33 19.25 eV View
- 34 19.74 eV View
- 35 20.16 eV View
- 36 23.60 eV View
- 37 23.91 eV View
- 38 24.50 eV View
- 39 24.86 eV View
- 40 29.66 eV View
- 41 31.19 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 204.91 cm-1 View
- 2 301.78 cm-1 View
- 3 361.40 cm-1 View
- 4 426.89 cm-1 View
- 5 476.28 cm-1 View
- 6 533.65 cm-1 View
- 7 629.37 cm-1 View
- 8 634.12 cm-1 View
- 9 774.87 cm-1 View
- 10 840.76 cm-1 View
- 11 875.10 cm-1 View
- 12 921.33 cm-1 View
- 13 972.26 cm-1 View
- 14 1009.08 cm-1 View
- 15 1047.52 cm-1 View
- 16 1103.54 cm-1 View
- 17 1130.27 cm-1 View
- 18 1152.00 cm-1 View
- 19 1156.79 cm-1 View
- 20 1213.11 cm-1 View
- 21 1271.63 cm-1 View
- 22 1377.08 cm-1 View
- 23 1407.97 cm-1 View
- 24 1569.25 cm-1 View
- 25 1609.55 cm-1 View
- 26 1786.80 cm-1 View
- 27 1791.81 cm-1 View
- 28 3054.19 cm-1 View
- 29 3056.91 cm-1 View
- 30 3065.79 cm-1 View
- 31 3071.38 cm-1 View
- 32 3081.54 cm-1 View
- 33 3888.52 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -4.79 | kJ mol-1 |
| Polar Solvation Energy | -12.51 | kJ mol-1 |
| Nonpolar Solvation Energy | 7.73 | kJ mol-1 |
| Surface Area | 98.21 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 1.49 | Debye |