Related Experiment Video
Updated: Aug 15, 2026

In Silico Modeling Method for Computational Aquatic Toxicology of Endocrine Disruptors: A Software-Based Approach Using QSAR Toolbox
Published on: August 28, 2019
Thermodynamic prediction of vapor pressures for polychlorinated dibenzo-p-dioxins, polychlorinated dibenzofurans, and
Xian-Wei Li1, Etsuro Shibata, Takashi Nakamura
1Resources and Environmental Engineering Laboratories, Research and Development Center, Baoshan Iron and Steel Company, Baosteel Technology Center Fujin Road, Baoshan District, Shanghai 201900, China.
Abstract:
The vapor pressures and thermal properties of nonmeasured polychlorinated dibenzo-p-dioxins and dibenzofurans (PCDD/Fs) and seven polybrominated dibenzo-p-dioxins (PBDDs) were predicted using a correlation method based on the experimental vapor pressures for 22 PCDD/Fs and octabrominated dibenzo-p-dioxin obtained by the Knudsen effusion method. The vapor pressures of all 59 PCDDs and 131 PCDFs predicted in the present study were more or less higher than the data predicted by Rordorf, although the calculation method was the same. For the most toxic 2,3,7,8-tetrachlorinated dibenzo-p-dioxin, the vapor pressure at 298 K predicted in the present study was 6.2 x 10(-6) Pa, which was 31-fold higher than the value provided by Rordorf (2.0 x 10(-7) Pa). The predicted vapor pressures for low-brominated PBDDs agreed with the data estimated by Rordorf. For 2,3,7,8-tetrabrominated dibenzo-p-dioxin, the vapor pressure predicted in the present study was 1.8 x 10(-8) Pa, obviously lower than those predicted by Rordorf.
More Related Videos
Related Concept Videos
Vapor Pressure
Clausius-Clapeyron Equation
Vapor Pressure of Fluid
When a liquid is placed in a closed container with a small air space, and the space is evacuated, vapor molecules will...
pV-Diagrams
Comparing Intermolecular Forces: Melting Point, Boiling Point, and Miscibility
Temporary attractive forces like dispersion are present in all molecules, whether they are polar or nonpolar. They...
Vapor Pressure Lowering

