CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | 1,2,3,6,7,8-hexachlorodibenzo-p-dioxin is a fluffy white solid. (NTP, 1992) |
|---|---|
| Melting Point | 545 to 547 °F (NTP, 1992) |
| Vapor Pressure | 3.6X10-11 mm Hg at 25 °C /extrapolated/ |
| LogP | log Kow = 8.21 /Estimated/ |
| Henry's Law Constant | Henry's Law constant = 1.9X10-6 atm-cu m/mole @ 25 °C /Estimated/ |
| Stability/Shelf Life | Extremely stable, even on heating to 700 °C. /Chlorodibenzo-para-dioxins/ |
| Decomposition | When heated to decomposition it emits toxic fumes of /hydrogen chloride/. |
| Kovats Retention Index | 2749 |
| Other Experimental Properties | /Toxic equivalency factors (TEF), indicate the toxicity of a compound relative to 2,3,7,8-tetrachlorodibenzo-p-dioxin, which itself has been assigned a TEF of 1.0. Concentration data for polychlorinated dibenzo-p-dioxins are frequently reported in units of toxic equivalency which are equal to the measured concentration of substance multiplied by its TEF./ The TEF for 1,2,3,6,7,8-hexachlorodibenzo-p-dioxin is 0.1. |
| Chemical Classes | Other Classes -> Halogenated Polyaromatics |
COMPUTED DESCRIPTORS
| Molecular Weight | 390.9 g/mol |
|---|---|
| XLogP3 | 7.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 389.815645 g/mol |
| Monoisotopic Mass | 387.818595 g/mol |
| Topological Polar Surface Area | 18.5 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 338 |
| 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
1,2,3,6,7,8-hexachlorodibenzo-p-dioxin is a fluffy white solid. (NTP, 1992)