Pentan-3-ol
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 | 442.38 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 452.29 | 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 | 94.93 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 128.19 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 164.60 | J mol-1 K-1 |
| Rotational | 113.25 | J mol-1 K-1 |
| Vibrational | 84.96 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 362.80 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -313.85 | kJ mol-1 |
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 70.14 cm-1 View
- 2 89.97 cm-1 View
- 3 184.10 cm-1 View
- 4 195.09 cm-1 View
- 5 217.38 cm-1 View
- 6 320.43 cm-1 View
- 7 358.56 cm-1 View
- 8 401.45 cm-1 View
- 9 520.46 cm-1 View
- 10 527.00 cm-1 View
- 11 824.69 cm-1 View
- 12 833.77 cm-1 View
- 13 901.19 cm-1 View
- 14 975.47 cm-1 View
- 15 1028.53 cm-1 View
- 16 1031.79 cm-1 View
- 17 1065.34 cm-1 View
- 18 1106.40 cm-1 View
- 19 1111.03 cm-1 View
- 20 1130.27 cm-1 View
- 21 1132.08 cm-1 View
- 22 1136.57 cm-1 View
- 23 1152.82 cm-1 View
- 24 1194.41 cm-1 View
- 25 1313.74 cm-1 View
- 26 1340.60 cm-1 View
- 27 1348.53 cm-1 View
- 28 1392.94 cm-1 View
- 29 1395.51 cm-1 View
- 30 1398.07 cm-1 View
- 31 1405.71 cm-1 View
- 32 1405.84 cm-1 View
- 33 1411.45 cm-1 View
- 34 1411.75 cm-1 View
- 35 1425.35 cm-1 View
- 36 1429.43 cm-1 View
- 37 2908.55 cm-1 View
- 38 2953.97 cm-1 View
- 39 2954.67 cm-1 View
- 40 3032.41 cm-1 View
- 41 3033.72 cm-1 View
- 42 3079.50 cm-1 View
- 43 3079.93 cm-1 View
- 44 3084.17 cm-1 View
- 45 3084.51 cm-1 View
- 46 3180.70 cm-1 View
- 47 3181.07 cm-1 View
- 48 3880.98 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 11.48 | kJ mol-1 |
| Polar Solvation Energy | -8.78 | kJ mol-1 |
| Nonpolar Solvation Energy | 20.23 | kJ mol-1 |
| Surface Area | 93.35 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 1.77 | Debye |