CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colorless liquid; pure form can be solid; mp = 5-10, 20-25 deg C (two forms); [HSDB] Colorless liquid; mp = 5-10 deg C; [MSDSonline] Pale amber liquid; [Reference #1] |
|---|---|
| Color/Form | Liquid |
| Boiling Point | 30 °C @ 1 mm Hg |
| Melting Point | 5-10 °C and 20-25 °C (two forms) |
| Flash Point | Greater than 175 °F (open cup) /2,4-D esters/ |
| Solubility | Sol in alcohols and most oils /SRP: depends on pH; will hydrolyze at alkaline ph on prolonged standing/ |
| Density | 1.255-1.270 @ 25 °C/25 °C |
| Vapor Pressure | 0.000232 [mmHg] |
| Stability/Shelf Life | Shelf life of ester formulations varies, depending on the emulsifying system. Some retain satisfactory emulsifying properties after 3 yr. /2,4-D ester salt/ |
| Decomposition | When heated to decomposition, emits highly toxic vapors. /2,4-D esters/ |
| Heat of Vaporization | 2.39 kcal/mol |
| Refractive Index | Index of refraction = 1.5209 @ 25 °C |
| Kovats Retention Index | 1700 1700 1673.7 |
| Other Experimental Properties | Solidifies at 5 °C |
| Chemical Classes | Pesticides -> Herbicides, Chlorophenoxy |
COMPUTED DESCRIPTORS
| Molecular Weight | 263.11 g/mol |
|---|---|
| XLogP3 | 3.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 262.0163496 g/mol |
| Monoisotopic Mass | 262.0163496 g/mol |
| Topological Polar Surface Area | 35.5 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 233 |
| 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 |