CHEMICAL AND PHYSICAL PROPERTIES
| Color/Form | Colorless liquid |
|---|---|
| Odor | Odorless |
| Boiling Point | 394 °C |
| Flash Point | 224 °C (COC) |
| Solubility | Iin water, <0.02 mg/L |
| Density | Specific gravity slightly less than 1 |
| Vapor Pressure | VP: 1.2X10-7 mm Hg |
| Collision Cross Section | 316.74 Ų [2M+Na]+ 222.03 Ų [M+Na]+ 224.82 Ų [M+H]+ |
COMPUTED DESCRIPTORS
| Molecular Weight | 424.7 g/mol |
|---|---|
| XLogP3 | 8.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 18 |
| Exact Mass | 424.35526001 g/mol |
| Monoisotopic Mass | 424.35526001 g/mol |
| Topological Polar Surface Area | 52.6 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 416 |
| 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 |