Propane-1,2,3-triol
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 | 318.82 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 328.73 | 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 | 82.34 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 115.60 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 165.15 | J mol-1 K-1 |
| Rotational | 111.96 | J mol-1 K-1 |
| Vibrational | 67.45 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 344.56 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -608.85 | kJ mol-1 |
Molecular Orbitals
- 1 -551.47 eV View
- 2 -551.28 eV View
- 3 -551.27 eV View
- 4 -302.16 eV View
- 5 -302.07 eV View
- 6 -302.05 eV View
- 7 -36.19 eV View
- 8 -35.50 eV View
- 9 -35.14 eV View
- 10 -26.62 eV View
- 11 -23.80 eV View
- 12 -20.89 eV View
- 13 -17.99 eV View
- 14 -17.12 eV View
- 15 -16.95 eV View
- 16 -15.95 eV View
- 17 -14.99 eV View
- 18 -14.32 eV View
- 19 -13.39 eV View
- 20 -12.09 eV View
- 21 -11.83 eV View
- 22 -11.29 eV View
- 23 -10.63 eV View
- 24 -9.77 eV View
- 25 -8.85 eV View
- 26 13.80 eV View
- 27 15.27 eV View
- 28 16.37 eV View
- 29 16.88 eV View
- 30 17.18 eV View
- 31 18.31 eV View
- 32 18.51 eV View
- 33 19.36 eV View
- 34 19.47 eV View
- 35 20.02 eV View
- 36 20.73 eV View
- 37 21.57 eV View
- 38 22.07 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 78.34 cm-1 View
- 2 120.08 cm-1 View
- 3 254.88 cm-1 View
- 4 301.24 cm-1 View
- 5 316.86 cm-1 View
- 6 363.51 cm-1 View
- 7 430.80 cm-1 View
- 8 460.74 cm-1 View
- 9 510.84 cm-1 View
- 10 749.20 cm-1 View
- 11 856.43 cm-1 View
- 12 889.41 cm-1 View
- 13 942.19 cm-1 View
- 14 1004.58 cm-1 View
- 15 1051.43 cm-1 View
- 16 1065.39 cm-1 View
- 17 1082.12 cm-1 View
- 18 1136.54 cm-1 View
- 19 1144.15 cm-1 View
- 20 1235.93 cm-1 View
- 21 1318.84 cm-1 View
- 22 1324.96 cm-1 View
- 23 1350.89 cm-1 View
- 24 1367.08 cm-1 View
- 25 1371.63 cm-1 View
- 26 1376.46 cm-1 View
- 27 1384.75 cm-1 View
- 28 1415.95 cm-1 View
- 29 2906.70 cm-1 View
- 30 2944.75 cm-1 View
- 31 2949.19 cm-1 View
- 32 3024.42 cm-1 View
- 33 3026.78 cm-1 View
- 34 3867.99 cm-1 View
- 35 3871.65 cm-1 View
- 36 3883.55 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -6.86 | kJ mol-1 |
| Polar Solvation Energy | -19.50 | kJ mol-1 |
| Nonpolar Solvation Energy | 12.62 | kJ mol-1 |
| Surface Area | 93.04 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 1.40 | Debye |