CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colorless liquid with a mild, aromatic odor; [HSDB] |
|---|---|
| Color/Form | Colorless volatile liquid |
| Odor | Petroleum-lke |
| Boiling Point | 34.067 °C |
| Melting Point | -145.95 °C |
| Flash Point | -65 °F (-54 °C) (Closed cup) |
| Solubility | In water, 642 mg/L at 25 °C |
| Density | 0.679 g/cu cm at 20 °C |
| Vapor Density | 2.35 (Air = 1) |
| Vapor Pressure | 550.0 [mmHg] |
| LogP | log Kow = 2.42 |
| Stability/Shelf Life | Stable under recommended storage conditions. Contains the following stabilizer(s): 4-tert-Butylpyrocatechol (>/= 100 to </= 150 ppm) |
| Autoignition Temperature | 743 °F (395 °C) |
| Decomposition | When heated to decomposition, it emits acrid smoke and fumes. |
| Viscosity | 0.3 mm²/s at 20-25 °C |
| Heat of Combustion | -18,848 Btu/lb = -10,471 cal/g = -438.4X10+5 J/kg |
| Heat of Vaporization | 26.39 kJ/mol at 25 °C; 25.87 kJ/mol at 34 °C |
| Surface Tension | 16.9 dynes/cm = 0.0169 N/m at 20 °C (liquid) |
| Polymerization | The substance polymerizes due to heating and under the influence of many materials. This generates fire or explosion hazard. |
| Refractive Index | Index of refraction: 1.42160 at 20 °C/D |
| Kovats Retention Index | 502.2 504 506 504 496 506 508 507 507 504 505 504 508.6 506 502.95 500 503 502 503 504 502 503 503 503 504 |
| Other Experimental Properties | 1 mg/L equivalent to 358 ppm and 1 ppm equivalent to 2.79 mg/cu m at 25 °C, 760 mm Hg |
| Chemical Classes | Plastics & Rubber -> Other Monomers |
COMPUTED DESCRIPTORS
| Molecular Weight | 68.12 g/mol |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 1 |
| Exact Mass | 68.062600255 g/mol |
| Monoisotopic Mass | 68.062600255 g/mol |
| Topological Polar Surface Area | 0 Ų |
| Heavy Atom Count | 5 |
| Formal Charge | 0 |
| Complexity | 51.1 |
| 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
Isoprene is a hemiterpene with the formula CH2=C(CH3)CH=CH2; the monomer of natural rubber and a common structure motif to the isoprenoids, a large class of other naturally occurring compounds. It has a role as a plant metabolite. It is an alkadiene, a hemiterpene and a volatile organic compound.