CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Colorless liquid; [HSDB] |
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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 |
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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.