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 | 317.81 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 327.73 | 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 | 83.10 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 116.36 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 165.15 | J mol-1 K-1 |
| Rotational | 112.78 | J mol-1 K-1 |
| Vibrational | 66.99 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 344.92 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -604.86 | kJ mol-1 |
Molecular Orbitals
- 1 -551.49 eV View
- 2 -551.16 eV View
- 3 -551.10 eV View
- 4 -302.11 eV View
- 5 -302.10 eV View
- 6 -301.95 eV View
- 7 -36.00 eV View
- 8 -35.42 eV View
- 9 -35.00 eV View
- 10 -26.54 eV View
- 11 -23.70 eV View
- 12 -20.98 eV View
- 13 -17.72 eV View
- 14 -17.49 eV View
- 15 -16.58 eV View
- 16 -15.82 eV View
- 17 -14.79 eV View
- 18 -14.45 eV View
- 19 -13.46 eV View
- 20 -11.81 eV View
- 21 -11.72 eV View
- 22 -11.17 eV View
- 23 -10.49 eV View
- 24 -9.98 eV View
- 25 -8.66 eV View
- 26 14.20 eV View
- 27 14.95 eV View
- 28 16.06 eV View
- 29 16.63 eV View
- 30 17.83 eV View
- 31 18.05 eV View
- 32 18.89 eV View
- 33 19.17 eV View
- 34 19.37 eV View
- 35 20.12 eV View
- 36 20.46 eV View
- 37 21.80 eV View
- 38 22.02 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 99.10 cm-1 View
- 2 119.74 cm-1 View
- 3 230.66 cm-1 View
- 4 275.71 cm-1 View
- 5 338.22 cm-1 View
- 6 371.63 cm-1 View
- 7 386.24 cm-1 View
- 8 498.12 cm-1 View
- 9 503.78 cm-1 View
- 10 671.21 cm-1 View
- 11 860.51 cm-1 View
- 12 903.64 cm-1 View
- 13 949.40 cm-1 View
- 14 1002.01 cm-1 View
- 15 1044.92 cm-1 View
- 16 1065.10 cm-1 View
- 17 1095.98 cm-1 View
- 18 1127.25 cm-1 View
- 19 1135.01 cm-1 View
- 20 1222.07 cm-1 View
- 21 1308.02 cm-1 View
- 22 1337.49 cm-1 View
- 23 1340.26 cm-1 View
- 24 1361.27 cm-1 View
- 25 1374.12 cm-1 View
- 26 1377.26 cm-1 View
- 27 1393.02 cm-1 View
- 28 1401.20 cm-1 View
- 29 2917.01 cm-1 View
- 30 2927.76 cm-1 View
- 31 2978.15 cm-1 View
- 32 3022.66 cm-1 View
- 33 3029.53 cm-1 View
- 34 3735.22 cm-1 View
- 35 3868.49 cm-1 View
- 36 3922.74 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -11.72 | kJ mol-1 |
| Polar Solvation Energy | -22.94 | kJ mol-1 |
| Nonpolar Solvation Energy | 11.20 | kJ mol-1 |
| Surface Area | 93.40 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 2.17 | Debye |