1-Pentanol
CAS Number: 71-41-0
Molecular Mass: 88.15 g/mol
Formula: C5H12O
Smiles: CCCCCO
Melting point: -78.9 °C
Boiling point: 136.0 °C
Density: 0.8146 g/cm3
Dipole moment: - D
Refractive index: 1.4103
Density as a function of temperature
| Temperature [K] | Density | Reference | Comment |
|---|---|---|---|
| 283.15 | 0.822 | 10.1021/je400630f | - |
| 293.15 | 0.8147 | 10.1021/je400630f | - |
| 298.15 | 0.8112 | 10.1021/je400630f | - |
| 303.15 | 0.8075 | 10.1021/je400630f | - |
| 313.15 | 0.8 | 10.1021/je400630f | - |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 33.0868 |
| PMI2 | 435.4117 |
| PMI3 | 451.5990 |
| NPR1 | 0.0733 |
| NPR2 | 0.9642 |
| RadiusOfGyration | 2.2845 |
| InertialShapeFactor | 0.0291 |
| Eccentricity | 0.9973 |
| Asphericity | 0.7968 |
| SpherocityIndex | 0.2277 |
| PBF | 0.5465 |