CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Liquid (mp = 11.5 deg C); [ChemIDplus] |
|---|---|
| Boiling Point | 302 °C @ 760 MM HG |
| Melting Point | 11.5 °C |
| Solubility | INSOL IN WATER |
| Density | 1.1239 @ 17 °C/4 °C |
| Refractive Index | INDEX OF REFRACTION: 1.508 @ 18 °C/D |
| Kovats Retention Index | 1638 1638 1606 |
| Chemical Classes | Plastics & Rubber -> Phthalate Esters |
COMPUTED DESCRIPTORS
| Molecular Weight | 222.24 g/mol |
|---|---|
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 222.08920892 g/mol |
| Monoisotopic Mass | 222.08920892 g/mol |
| Topological Polar Surface Area | 52.6 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 225 |
| 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 |