CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Liquid |
|---|---|
| Color/Form | Liquid |
| Odor | Mild odor |
| Boiling Point | 220-254 °C @ 4 mm Hg |
| Melting Point | FP: -50 °C |
| Density | 0.92-0.98 @ 20 °C/20 °C |
| Vapor Pressure | 0.00000331 [mmHg] |
| Refractive Index | Index of refraction: 1.447 |
| Kovats Retention Index | 2745 2745 |
| Chemical Classes | Plastics & Rubber -> Other Plasticizers |
COMPUTED DESCRIPTORS
| Molecular Weight | 398.6 g/mol |
|---|---|
| XLogP3 | 8.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 23 |
| Exact Mass | 398.33960994 g/mol |
| Monoisotopic Mass | 398.33960994 g/mol |
| Topological Polar Surface Area | 52.6 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 355 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |