Methyl butyrate
CAS Number: 623-42-7
Molecular Mass: 102.133 g/mol
Formula: C5H10O2
Smiles: CCCC(=O)OC
Melting point: -95.0 °C
Boiling point: 102.8 °C
Density: 0.8984 g/cm3
Dipole moment: 1.72 D
Refractive index: 1.3878
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 61.9151 |
| PMI2 | 418.5411 |
| PMI3 | 467.6749 |
| NPR1 | 0.1324 |
| NPR2 | 0.8949 |
| RadiusOfGyration | 2.1544 |
| InertialShapeFactor | 0.0145 |
| Eccentricity | 0.9912 |
| Asphericity | 0.6546 |
| SpherocityIndex | 0.1572 |
| PBF | 0.4189 |