CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | 1-buten-3-yne appears as a colorless gas or liquid. Derived by the dimerization of acetylene. Used in the synthesis of neoprene and for other organic syntheses. |
|---|---|
| Color/Form | Colorless gas or liquid |
| Odor | acetylene-like odor |
| Boiling Point | 5.1 °C @ 760 mm Hg |
| Solubility | Sol in benzene |
| Density | 0.7095 @ 0 °C/0 °C |
| Vapor Density | 1.80 (AIR= 1) |
| Vapor Pressure | 1,350 mm Hg @ 25 °C |
| Decomposition | Very exothermic decomposition when heated. ... When heated to decomposition it emits acrid smoke and irritating fumes. |
| Refractive Index | Index of refraction: 1.4161 @ 1 °C/D |
| Kovats Retention Index | 407.15 404 410 |
| Chemical Classes | Other Classes -> Aliphatics, Unsaturated |
COMPUTED DESCRIPTORS
| Molecular Weight | 52.07 g/mol |
|---|---|
| XLogP3 | 1.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 0 |
| Exact Mass | 52.0313001276 g/mol |
| Monoisotopic Mass | 52.0313001276 g/mol |
| Topological Polar Surface Area | 0 Ų |
| Heavy Atom Count | 4 |
| Formal Charge | 0 |
| Complexity | 51.7 |
| 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
1-buten-3-yne appears as a colorless gas or liquid. Derived by the dimerization of acetylene. Used in the synthesis of neoprene and for other organic syntheses.