CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colorless liquid; [HSDB] |
|---|---|
| Color/Form | Colorless, somewhat oily liquid |
| Odor | Slight ester odor |
| Boiling Point | 129 °C at 0.5 mm HG |
| Solubility | Miscible with most organic solvents |
| Density | 1.3742 |
| Vapor Pressure | 0.000112 [mmHg] |
| Stability/Shelf Life | Stable to light but decomposes above 150 °C |
| Decomposition | When heated to decomposition it emits highly toxic fumes of /phosphorus oxides and hydrogen chloride/. |
| Refractive Index | Index of refraction = 1.4707 |
| Kovats Retention Index | 1693.2 |
| Other Experimental Properties | Low smell & staining properties /Technical/ |
| Chemical Classes | Pesticides -> Organophosphate Insecticides |
COMPUTED DESCRIPTORS
| Molecular Weight | 327.5 g/mol |
|---|---|
| XLogP3 | 2.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 7 |
| Exact Mass | 325.964444 g/mol |
| Monoisotopic Mass | 325.964444 g/mol |
| Topological Polar Surface Area | 61.8 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 296 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Butonate is a fatty acid ester and a butyrate ester.