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 | 347.88 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 357.80 | 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 | 106.79 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 140.05 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 170.47 | J mol-1 K-1 |
| Rotational | 124.01 | J mol-1 K-1 |
| Vibrational | 90.72 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 385.20 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -67.41 | kJ mol-1 |
Molecular Orbitals
- 1 -553.58 eV View
- 2 -553.58 eV View
- 3 -551.87 eV View
- 4 -418.95 eV View
- 5 -301.75 eV View
- 6 -301.35 eV View
- 7 -299.95 eV View
- 8 -299.94 eV View
- 9 -299.91 eV View
- 10 -299.88 eV View
- 11 -37.90 eV View
- 12 -35.86 eV View
- 13 -35.22 eV View
- 14 -30.00 eV View
- 15 -27.60 eV View
- 16 -26.01 eV View
- 17 -24.00 eV View
- 18 -21.27 eV View
- 19 -20.08 eV View
- 20 -17.97 eV View
- 21 -17.58 eV View
- 22 -16.63 eV View
- 23 -16.03 eV View
- 24 -15.53 eV View
- 25 -15.35 eV View
- 26 -14.61 eV View
- 27 -14.42 eV View
- 28 -13.63 eV View
- 29 -13.25 eV View
- 30 -12.42 eV View
- 31 -12.23 eV View
- 32 -11.81 eV View
- 33 -11.38 eV View
- 34 -11.11 eV View
- 35 -8.29 eV View
- 36 -7.77 eV View
- 37 -4.99 eV View
- 38 7.32 eV View
- 39 7.92 eV View
- 40 10.92 eV View
- 41 13.90 eV View
- 42 14.20 eV View
- 43 14.78 eV View
- 44 15.52 eV View
- 45 16.77 eV View
- 46 17.55 eV View
- 47 18.40 eV View
- 48 19.52 eV View
- 49 19.67 eV View
- 50 20.21 eV View
- 51 20.69 eV View
- 52 23.75 eV View
- 53 24.37 eV View
- 54 24.88 eV View
- 55 25.01 eV View
- 56 29.81 eV View
- 57 31.17 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 3.89 cm-1 View
- 2 9.32 cm-1 View
- 3 15.25 cm-1 View
- 4 42.20 cm-1 View
- 5 98.60 cm-1 View
- 6 189.41 cm-1 View
- 7 262.72 cm-1 View
- 8 305.54 cm-1 View
- 9 337.53 cm-1 View
- 10 356.70 cm-1 View
- 11 385.70 cm-1 View
- 12 483.46 cm-1 View
- 13 495.81 cm-1 View
- 14 497.69 cm-1 View
- 15 641.88 cm-1 View
- 16 650.75 cm-1 View
- 17 660.23 cm-1 View
- 18 827.91 cm-1 View
- 19 852.63 cm-1 View
- 20 857.83 cm-1 View
- 21 954.86 cm-1 View
- 22 966.00 cm-1 View
- 23 970.62 cm-1 View
- 24 1024.44 cm-1 View
- 25 1068.04 cm-1 View
- 26 1159.13 cm-1 View
- 27 1190.20 cm-1 View
- 28 1222.64 cm-1 View
- 29 1278.93 cm-1 View
- 30 1293.12 cm-1 View
- 31 1385.40 cm-1 View
- 32 1446.75 cm-1 View
- 33 1466.13 cm-1 View
- 34 1570.36 cm-1 View
- 35 1591.57 cm-1 View
- 36 1633.61 cm-1 View
- 37 1773.80 cm-1 View
- 38 1798.43 cm-1 View
- 39 3051.78 cm-1 View
- 40 3055.24 cm-1 View
- 41 3066.45 cm-1 View
- 42 3071.41 cm-1 View
- 43 3883.87 cm-1 View
- 44 3891.85 cm-1 View
- 45 3902.61 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -21.47 | kJ mol-1 |
| Polar Solvation Energy | -32.03 | kJ mol-1 |
| Nonpolar Solvation Energy | 10.58 | kJ mol-1 |
| Surface Area | 125.53 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 3.55 | Debye |