CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colorless liquid; [HSDB] |
|---|---|
| Color/Form | Colorless liquid |
| Boiling Point | 65 °C @ 760 mm Hg |
| Flash Point | -21 °C |
| Solubility | Insol in water; sol in ether, ethanol, and benzene |
| Density | 0.7000 @ 20 °C/4 °C |
| Vapor Density | 2.8 (AIR= 1) |
| Vapor Pressure | 172.0 [mmHg] |
| Decomposition | When heated to decomposition it emits acrid smoke and fumes. |
| Refractive Index | Index of refraction: 1.4150 @ 20 °C/D |
| Kovats Retention Index | 597.2 593 593 597 |
| Chemical Classes | Plastics & Rubber -> Other Monomers |
COMPUTED DESCRIPTORS
| Molecular Weight | 82.14 g/mol |
|---|---|
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 2 |
| Exact Mass | 82.078250319 g/mol |
| Monoisotopic Mass | 82.078250319 g/mol |
| Topological Polar Surface Area | 0 Ų |
| Heavy Atom Count | 6 |
| Formal Charge | 0 |
| Complexity | 51.1 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
1,4-Hexadiene is a natural product found in Solanum lycopersicum with data available.