Di(2-ethylhexyl) phthalate
CAS Number: 117-81-7
Molecular Mass: 390.6 g/mol
Formula: C24H38O4
Smiles: CCCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CC
Melting point: -55.0 °C
Boiling point: 384.5 °C
Density: 0.981 g/cm3
Dipole moment: - D
Refractive index: 1.4853
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 2601.5725 |
| PMI2 | 2983.2028 |
| PMI3 | 4554.5945 |
| NPR1 | 0.5712 |
| NPR2 | 0.6550 |
| RadiusOfGyration | 3.8142 |
| InertialShapeFactor | 0.0003 |
| Eccentricity | 0.8208 |
| Asphericity | 0.1251 |
| SpherocityIndex | 0.3519 |
| PBF | 1.1744 |