Gamma-Butyrolactone
CAS Number: 96-48-0
Molecular Mass: 86.09 g/mol
Formula: C4H6O2
Smiles: O=C1CCCO1
Melting point: -43.53 °C
Boiling point: 204.0 °C
Density: 1.1296 g/cm3
Dipole moment: - D
Refractive index: 1.4348
Density as a function of temperature
| Temperature [K] | Density | Reference | Comment |
|---|---|---|---|
| 293.15 | 1.128699 | 10.1016/j.molliq.2015.06.041 | - |
| 298.15 | 1.123791 | 10.1016/j.molliq.2015.06.041 | - |
| 303.15 | 1.118877 | 10.1016/j.molliq.2015.06.041 | - |
| 308.15 | 1.113962 | 10.1016/j.molliq.2015.06.041 | - |
| 313.15 | 1.109045 | 10.1016/j.molliq.2015.06.041 | - |
| 318.15 | 1.104128 | 10.1016/j.molliq.2015.06.041 | - |
| 323.15 | 1.099205 | 10.1016/j.molliq.2015.06.041 | - |
| 328.15 | 1.094272 | 10.1016/j.molliq.2015.06.041 | - |
| 333.15 | 1.089342 | 10.1016/j.molliq.2015.06.041 | - |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 68.6598 |
| PMI2 | 139.2770 |
| PMI3 | 194.6209 |
| NPR1 | 0.3528 |
| NPR2 | 0.7156 |
| RadiusOfGyration | 1.5291 |
| InertialShapeFactor | 0.0104 |
| Eccentricity | 0.9357 |
| Asphericity | 0.2952 |
| SpherocityIndex | 0.4171 |
| PBF | 0.5011 |