CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Crystals (from ethyl acetate). (NTP, 1992) |
|---|---|
| Color/Form | Crystals from ethyl acetate |
| Melting Point | 304 to 307 °F (NTP, 1992) |
| Solubility | Readily soluble |
| Vapor Pressure | 4.2X10-8 mm Hg at 25 °C /Estimated/ |
| LogP | log Kow= 3.85 /Estimated/ |
| Henry's Law Constant | Henry's Law constant= 3.2X10-11 atm-cu m/mole at 25 °C /Estimated/ |
| Dissociation Constants | 8.43 ± 0.11 |
| Kovats Retention Index | 2600 |
| Other Experimental Properties | Hydroxyl radical reaction rate constant= 2.1X10-10 cu cm/molecule-sec at 25 °C /Estimated/ |
COMPUTED DESCRIPTORS
| Molecular Weight | 309.4 g/mol |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 309.11873540 g/mol |
| Monoisotopic Mass | 309.11873540 g/mol |
| Topological Polar Surface Area | 48.6 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 476 |
| 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 |
PRODUCT INTRODUCTION
description
Crystals (from ethyl acetate). (NTP, 1992)