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 | 338.67 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 348.58 | 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 | 120.02 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 153.28 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 171.49 | J mol-1 K-1 |
| Rotational | 126.32 | J mol-1 K-1 |
| Vibrational | 110.77 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 408.58 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 229.25 | kJ mol-1 |
Molecular Orbitals
- 1 -2474.01 eV View
- 2 -418.53 eV View
- 3 -417.27 eV View
- 4 -416.55 eV View
- 5 -303.50 eV View
- 6 -303.02 eV View
- 7 -301.66 eV View
- 8 -301.11 eV View
- 9 -300.67 eV View
- 10 -300.52 eV View
- 11 -239.35 eV View
- 12 -175.06 eV View
- 13 -174.97 eV View
- 14 -174.88 eV View
- 15 -33.71 eV View
- 16 -32.13 eV View
- 17 -30.20 eV View
- 18 -28.18 eV View
- 19 -26.51 eV View
- 20 -25.57 eV View
- 21 -22.15 eV View
- 22 -21.72 eV View
- 23 -19.81 eV View
- 24 -18.46 eV View
- 25 -17.56 eV View
- 26 -17.07 eV View
- 27 -15.88 eV View
- 28 -15.63 eV View
- 29 -14.94 eV View
- 30 -14.30 eV View
- 31 -14.09 eV View
- 32 -12.99 eV View
- 33 -12.46 eV View
- 34 -11.82 eV View
- 35 -10.35 eV View
- 36 -9.78 eV View
- 37 -8.89 eV View
- 38 -8.85 eV View
- 39 -8.31 eV View
- 40 -7.00 eV View
- 41 6.36 eV View
- 42 6.59 eV View
- 43 8.18 eV View
- 44 10.30 eV View
- 45 12.27 eV View
- 46 12.93 eV View
- 47 15.11 eV View
- 48 15.75 eV View
- 49 16.45 eV View
- 50 17.35 eV View
- 51 18.45 eV View
- 52 18.86 eV View
- 53 19.18 eV View
- 54 20.75 eV View
- 55 21.20 eV View
- 56 23.09 eV View
- 57 23.77 eV View
- 58 24.04 eV View
- 59 26.84 eV View
- 60 29.01 eV View
- 61 29.35 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 34.16 cm-1 View
- 2 49.22 cm-1 View
- 3 145.09 cm-1 View
- 4 189.84 cm-1 View
- 5 228.78 cm-1 View
- 6 280.51 cm-1 View
- 7 343.99 cm-1 View
- 8 371.12 cm-1 View
- 9 455.79 cm-1 View
- 10 470.41 cm-1 View
- 11 503.30 cm-1 View
- 12 598.14 cm-1 View
- 13 640.69 cm-1 View
- 14 661.92 cm-1 View
- 15 707.29 cm-1 View
- 16 782.50 cm-1 View
- 17 796.16 cm-1 View
- 18 839.68 cm-1 View
- 19 878.85 cm-1 View
- 20 881.62 cm-1 View
- 21 949.10 cm-1 View
- 22 957.84 cm-1 View
- 23 1006.67 cm-1 View
- 24 1025.88 cm-1 View
- 25 1082.79 cm-1 View
- 26 1111.18 cm-1 View
- 27 1127.92 cm-1 View
- 28 1145.79 cm-1 View
- 29 1174.03 cm-1 View
- 30 1194.78 cm-1 View
- 31 1238.44 cm-1 View
- 32 1334.72 cm-1 View
- 33 1403.78 cm-1 View
- 34 1528.30 cm-1 View
- 35 1556.96 cm-1 View
- 36 1685.46 cm-1 View
- 37 1744.72 cm-1 View
- 38 1767.00 cm-1 View
- 39 1798.30 cm-1 View
- 40 3034.11 cm-1 View
- 41 3056.13 cm-1 View
- 42 3068.11 cm-1 View
- 43 3083.73 cm-1 View
- 44 3355.41 cm-1 View
- 45 3456.06 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -4.70 | kJ mol-1 |
| Polar Solvation Energy | -23.19 | kJ mol-1 |
| Nonpolar Solvation Energy | 18.48 | kJ mol-1 |
| Surface Area | 148.34 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 3.45 | Debye |