1,1-dihydroxypropan-2-one
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 | 257.36 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 267.27 | 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 | 76.85 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 110.10 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 164.87 | J mol-1 K-1 |
| Rotational | 111.30 | J mol-1 K-1 |
| Vibrational | 71.80 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 347.97 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -583.98 | kJ mol-1 |
Molecular Orbitals
- 1 -552.29 eV View
- 2 -551.27 eV View
- 3 -551.26 eV View
- 4 -303.53 eV View
- 5 -303.05 eV View
- 6 -300.93 eV View
- 7 -37.18 eV View
- 8 -36.29 eV View
- 9 -34.28 eV View
- 10 -26.68 eV View
- 11 -23.78 eV View
- 12 -19.63 eV View
- 13 -17.83 eV View
- 14 -16.74 eV View
- 15 -16.29 eV View
- 16 -15.22 eV View
- 17 -14.66 eV View
- 18 -13.84 eV View
- 19 -13.54 eV View
- 20 -11.93 eV View
- 21 -11.36 eV View
- 22 -10.39 eV View
- 23 -9.81 eV View
- 24 -8.91 eV View
- 25 7.45 eV View
- 26 15.25 eV View
- 27 15.84 eV View
- 28 16.91 eV View
- 29 17.57 eV View
- 30 18.09 eV View
- 31 19.06 eV View
- 32 19.56 eV View
- 33 19.90 eV View
- 34 21.21 eV View
- 35 21.38 eV View
- 36 27.28 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 45.04 cm-1 View
- 2 117.73 cm-1 View
- 3 244.53 cm-1 View
- 4 266.88 cm-1 View
- 5 310.53 cm-1 View
- 6 355.18 cm-1 View
- 7 432.25 cm-1 View
- 8 476.43 cm-1 View
- 9 583.99 cm-1 View
- 10 662.14 cm-1 View
- 11 844.59 cm-1 View
- 12 987.04 cm-1 View
- 13 994.43 cm-1 View
- 14 1044.94 cm-1 View
- 15 1086.39 cm-1 View
- 16 1202.86 cm-1 View
- 17 1247.53 cm-1 View
- 18 1303.77 cm-1 View
- 19 1366.81 cm-1 View
- 20 1372.94 cm-1 View
- 21 1387.56 cm-1 View
- 22 1399.19 cm-1 View
- 23 1445.90 cm-1 View
- 24 1986.82 cm-1 View
- 25 2851.10 cm-1 View
- 26 3078.43 cm-1 View
- 27 3088.31 cm-1 View
- 28 3175.22 cm-1 View
- 29 3863.16 cm-1 View
- 30 3888.48 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -7.87 | kJ mol-1 |
| Polar Solvation Energy | -22.50 | kJ mol-1 |
| Nonpolar Solvation Energy | 14.63 | kJ mol-1 |
| Surface Area | 94.41 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 3.00 | Debye |