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 | 351.56 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 361.47 | 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 | 124.12 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 157.38 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 169.74 | J mol-1 K-1 |
| Rotational | 128.97 | J mol-1 K-1 |
| Vibrational | 145.45 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 444.16 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 228.56 | kJ mol-1 |
Molecular Orbitals
- 1 -552.10 eV View
- 2 -417.89 eV View
- 3 -303.21 eV View
- 4 -302.71 eV View
- 5 -302.07 eV View
- 6 -301.26 eV View
- 7 -301.04 eV View
- 8 -300.39 eV View
- 9 -299.72 eV View
- 10 -299.62 eV View
- 11 -36.31 eV View
- 12 -31.90 eV View
- 13 -29.19 eV View
- 14 -28.35 eV View
- 15 -26.55 eV View
- 16 -24.53 eV View
- 17 -22.01 eV View
- 18 -19.17 eV View
- 19 -18.46 eV View
- 20 -17.74 eV View
- 21 -17.22 eV View
- 22 -16.71 eV View
- 23 -16.06 eV View
- 24 -16.00 eV View
- 25 -14.60 eV View
- 26 -14.45 eV View
- 27 -13.15 eV View
- 28 -12.95 eV View
- 29 -12.65 eV View
- 30 -11.25 eV View
- 31 -11.23 eV View
- 32 -9.43 eV View
- 33 -9.31 eV View
- 34 -8.97 eV View
- 35 -8.51 eV View
- 36 5.93 eV View
- 37 8.97 eV View
- 38 9.30 eV View
- 39 10.06 eV View
- 40 10.55 eV View
- 41 10.83 eV View
- 42 15.21 eV View
- 43 16.16 eV View
- 44 16.54 eV View
- 45 17.45 eV View
- 46 18.21 eV View
- 47 18.34 eV View
- 48 18.53 eV View
- 49 19.31 eV View
- 50 19.44 eV View
- 51 19.90 eV View
- 52 21.13 eV View
- 53 24.40 eV View
- 54 25.24 eV View
- 55 29.25 eV View
- 56 36.23 eV View
- 57 40.95 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 18.41 cm-1 View
- 2 52.28 cm-1 View
- 3 53.22 cm-1 View
- 4 101.65 cm-1 View
- 5 126.68 cm-1 View
- 6 206.16 cm-1 View
- 7 212.97 cm-1 View
- 8 266.80 cm-1 View
- 9 357.08 cm-1 View
- 10 383.99 cm-1 View
- 11 409.08 cm-1 View
- 12 477.46 cm-1 View
- 13 584.42 cm-1 View
- 14 636.25 cm-1 View
- 15 705.43 cm-1 View
- 16 819.05 cm-1 View
- 17 874.65 cm-1 View
- 18 898.10 cm-1 View
- 19 917.32 cm-1 View
- 20 954.25 cm-1 View
- 21 1001.80 cm-1 View
- 22 1018.61 cm-1 View
- 23 1019.39 cm-1 View
- 24 1039.94 cm-1 View
- 25 1080.16 cm-1 View
- 26 1140.29 cm-1 View
- 27 1173.22 cm-1 View
- 28 1191.72 cm-1 View
- 29 1214.90 cm-1 View
- 30 1280.88 cm-1 View
- 31 1334.38 cm-1 View
- 32 1339.33 cm-1 View
- 33 1371.10 cm-1 View
- 34 1505.99 cm-1 View
- 35 1868.54 cm-1 View
- 36 1967.14 cm-1 View
- 37 2460.84 cm-1 View
- 38 2467.41 cm-1 View
- 39 2925.66 cm-1 View
- 40 2928.73 cm-1 View
- 41 2936.65 cm-1 View
- 42 2985.65 cm-1 View
- 43 2999.01 cm-1 View
- 44 3031.57 cm-1 View
- 45 3040.72 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -10.59 | kJ mol-1 |
| Polar Solvation Energy | -30.81 | kJ mol-1 |
| Nonpolar Solvation Energy | 20.27 | kJ mol-1 |
| Surface Area | 150.80 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 2.97 | Debye |