CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Liquid |
|---|---|
| Color/Form | Colorless liquid |
| Odor | Odorless |
| Boiling Point | 237 °C @ 5 mm Hg |
| Melting Point | -78 °C |
| Solubility | Insol in water; sol in ethanol, acetone, benzene |
| Density | 0.915 @ 25 °C/4 °C |
| Refractive Index | Index of refraction: 1.446 @ 25 °C/D |
| Kovats Retention Index | 2669 |
| Chemical Classes | Plastics & Rubber -> Other Plasticizers |
COMPUTED DESCRIPTORS
| Molecular Weight | 412.6 g/mol |
|---|---|
| XLogP3 | 8.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 22 |
| Exact Mass | 412.35526001 g/mol |
| Monoisotopic Mass | 412.35526001 g/mol |
| Topological Polar Surface Area | 52.6 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 358 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |