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 | 318.37 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 328.29 | 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 | 84.07 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 117.33 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 165.15 | J mol-1 K-1 |
| Rotational | 113.18 | J mol-1 K-1 |
| Vibrational | 80.77 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 359.10 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -602.40 | kJ mol-1 |
Molecular Orbitals
- 1 -551.30 eV View
- 2 -551.28 eV View
- 3 -551.06 eV View
- 4 -302.18 eV View
- 5 -302.03 eV View
- 6 -301.99 eV View
- 7 -35.94 eV View
- 8 -35.44 eV View
- 9 -35.01 eV View
- 10 -26.63 eV View
- 11 -23.41 eV View
- 12 -21.08 eV View
- 13 -18.05 eV View
- 14 -17.33 eV View
- 15 -16.49 eV View
- 16 -15.68 eV View
- 17 -14.70 eV View
- 18 -14.14 eV View
- 19 -13.82 eV View
- 20 -12.17 eV View
- 21 -11.56 eV View
- 22 -10.88 eV View
- 23 -10.60 eV View
- 24 -9.55 eV View
- 25 -8.91 eV View
- 26 14.38 eV View
- 27 15.09 eV View
- 28 15.50 eV View
- 29 17.30 eV View
- 30 17.59 eV View
- 31 18.10 eV View
- 32 18.45 eV View
- 33 19.11 eV View
- 34 19.52 eV View
- 35 20.03 eV View
- 36 21.08 eV View
- 37 21.57 eV View
- 38 22.01 eV View
Vibrational Frequencies
| Vibration |
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| Vectors |
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| Balls |
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- 1 26.52 cm-1 View
- 2 95.52 cm-1 View
- 3 245.09 cm-1 View
- 4 306.61 cm-1 View
- 5 319.41 cm-1 View
- 6 352.24 cm-1 View
- 7 383.39 cm-1 View
- 8 404.68 cm-1 View
- 9 507.58 cm-1 View
- 10 569.23 cm-1 View
- 11 894.04 cm-1 View
- 12 911.88 cm-1 View
- 13 1023.90 cm-1 View
- 14 1037.54 cm-1 View
- 15 1068.80 cm-1 View
- 16 1086.04 cm-1 View
- 17 1096.75 cm-1 View
- 18 1132.75 cm-1 View
- 19 1157.33 cm-1 View
- 20 1198.02 cm-1 View
- 21 1301.11 cm-1 View
- 22 1334.93 cm-1 View
- 23 1348.85 cm-1 View
- 24 1372.97 cm-1 View
- 25 1374.12 cm-1 View
- 26 1379.65 cm-1 View
- 27 1387.02 cm-1 View
- 28 1413.58 cm-1 View
- 29 2829.40 cm-1 View
- 30 2946.96 cm-1 View
- 31 2954.03 cm-1 View
- 32 3020.24 cm-1 View
- 33 3026.19 cm-1 View
- 34 3879.53 cm-1 View
- 35 3884.65 cm-1 View
- 36 3895.67 cm-1 View