(e)-ethene-1,2-diol formaldehyde oxidane oxidane
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 | 334.24 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 344.16 | 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 | 155.99 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 189.25 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 168.87 | J mol-1 K-1 |
| Rotational | 128.60 | J mol-1 K-1 |
| Vibrational | 249.88 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 547.34 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -874.64 | kJ mol-1 |
Molecular Orbitals
- 1 -556.61 eV View
- 2 -551.78 eV View
- 3 -551.50 eV View
- 4 -550.79 eV View
- 5 -549.15 eV View
- 6 -302.71 eV View
- 7 -300.89 eV View
- 8 -300.80 eV View
- 9 -40.19 eV View
- 10 -35.85 eV View
- 11 -35.39 eV View
- 12 -34.67 eV View
- 13 -33.56 eV View
- 14 -25.21 eV View
- 15 -20.74 eV View
- 16 -19.67 eV View
- 17 -17.80 eV View
- 18 -17.22 eV View
- 19 -16.73 eV View
- 20 -15.84 eV View
- 21 -15.48 eV View
- 22 -15.45 eV View
- 23 -13.63 eV View
- 24 -13.50 eV View
- 25 -13.17 eV View
- 26 -12.89 eV View
- 27 -12.34 eV View
- 28 -11.80 eV View
- 29 -11.00 eV View
- 30 -10.77 eV View
- 31 -10.66 eV View
- 32 -9.65 eV View
- 33 -5.99 eV View
- 34 7.76 eV View
- 35 7.78 eV View
- 36 9.38 eV View
- 37 14.99 eV View
- 38 16.33 eV View
- 39 16.42 eV View
- 40 17.72 eV View
- 41 18.14 eV View
- 42 19.43 eV View
- 43 20.51 eV View
- 44 21.00 eV View
- 45 21.80 eV View
- 46 24.70 eV View
- 47 28.12 eV View
- 48 29.37 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 6.50 cm-1 View
- 2 10.06 cm-1 View
- 3 15.15 cm-1 View
- 4 20.03 cm-1 View
- 5 31.68 cm-1 View
- 6 44.07 cm-1 View
- 7 60.98 cm-1 View
- 8 76.52 cm-1 View
- 9 83.06 cm-1 View
- 10 108.27 cm-1 View
- 11 116.13 cm-1 View
- 12 125.37 cm-1 View
- 13 162.70 cm-1 View
- 14 215.82 cm-1 View
- 15 280.25 cm-1 View
- 16 293.04 cm-1 View
- 17 305.96 cm-1 View
- 18 365.25 cm-1 View
- 19 367.71 cm-1 View
- 20 442.43 cm-1 View
- 21 571.53 cm-1 View
- 22 592.47 cm-1 View
- 23 850.14 cm-1 View
- 24 865.12 cm-1 View
- 25 1067.71 cm-1 View
- 26 1091.99 cm-1 View
- 27 1245.33 cm-1 View
- 28 1396.45 cm-1 View
- 29 1427.12 cm-1 View
- 30 1437.64 cm-1 View
- 31 1736.54 cm-1 View
- 32 1740.42 cm-1 View
- 33 1861.70 cm-1 View
- 34 2334.68 cm-1 View
- 35 3055.88 cm-1 View
- 36 3071.01 cm-1 View
- 37 3638.27 cm-1 View
- 38 3830.95 cm-1 View
- 39 3870.88 cm-1 View
- 40 3872.82 cm-1 View
- 41 3963.62 cm-1 View
- 42 3992.78 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 61.38 | kJ mol-1 |
| Polar Solvation Energy | -40.28 | kJ mol-1 |
| Nonpolar Solvation Energy | 101.66 | kJ mol-1 |
| Surface Area | 148.72 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 3.73 | Debye |