(2s)-propane-1,2-diol
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 | 304.38 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 314.30 | 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 | 67.11 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 100.36 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 162.77 | J mol-1 K-1 |
| Rotational | 107.53 | J mol-1 K-1 |
| Vibrational | 47.33 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 317.63 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -441.90 | kJ mol-1 |
Molecular Orbitals
- 1 -551.30 eV View
- 2 -551.07 eV View
- 3 -302.16 eV View
- 4 -301.90 eV View
- 5 -300.74 eV View
- 6 -35.83 eV View
- 7 -35.10 eV View
- 8 -27.01 eV View
- 9 -24.28 eV View
- 10 -20.84 eV View
- 11 -17.70 eV View
- 12 -16.75 eV View
- 13 -15.67 eV View
- 14 -15.52 eV View
- 15 -14.46 eV View
- 16 -13.57 eV View
- 17 -12.82 eV View
- 18 -11.87 eV View
- 19 -10.99 eV View
- 20 -10.15 eV View
- 21 -9.05 eV View
- 22 14.66 eV View
- 23 15.62 eV View
- 24 15.83 eV View
- 25 16.96 eV View
- 26 18.36 eV View
- 27 18.74 eV View
- 28 19.22 eV View
- 29 19.79 eV View
- 30 20.38 eV View
- 31 21.15 eV View
- 32 21.61 eV View
- 33 22.29 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 139.28 cm-1 View
- 2 196.63 cm-1 View
- 3 319.36 cm-1 View
- 4 355.96 cm-1 View
- 5 382.40 cm-1 View
- 6 444.61 cm-1 View
- 7 455.76 cm-1 View
- 8 660.25 cm-1 View
- 9 895.71 cm-1 View
- 10 915.53 cm-1 View
- 11 971.11 cm-1 View
- 12 1027.22 cm-1 View
- 13 1049.72 cm-1 View
- 14 1076.93 cm-1 View
- 15 1123.55 cm-1 View
- 16 1136.87 cm-1 View
- 17 1255.44 cm-1 View
- 18 1323.44 cm-1 View
- 19 1342.15 cm-1 View
- 20 1375.85 cm-1 View
- 21 1386.63 cm-1 View
- 22 1402.41 cm-1 View
- 23 1405.92 cm-1 View
- 24 1421.51 cm-1 View
- 25 1434.58 cm-1 View
- 26 2924.15 cm-1 View
- 27 2949.82 cm-1 View
- 28 3032.93 cm-1 View
- 29 3048.64 cm-1 View
- 30 3094.84 cm-1 View
- 31 3175.96 cm-1 View
- 32 3825.86 cm-1 View
- 33 3879.31 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -5.83 | kJ mol-1 |
| Polar Solvation Energy | -17.20 | kJ mol-1 |
| Nonpolar Solvation Energy | 11.37 | kJ mol-1 |
| Surface Area | 89.08 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 2.25 | Debye |