An overview of compiling, critically evaluating, and delivering reliable physical property data from AIChE DIPPR® Projects 911 and 912

The goal of AIChE DIPPR® Projects 911 and 912 is to develop a comprehensive, consolidated database of physical properties for those chemical species which are regulated by various agencies of the US government, and are important to the chemical process industry. Environmental, safety and health (ESH) properties are the prime focus of the data collection and validation efforts of the two projects. Project 911, a database compilation effort, collects data for 700 chemicals and 55 physical properties. These properties include aqueous solubility, viscosity, vapor pressure, flash point, octanol–water partition coefficient, and bioconcentration factor. Project 912 is a complementary effort which focuses on the review of existing physical property prediction techniques and developing new estimation algorithms where none exist. Limited mixture data (e.g., infinite dilution vapor/liquid equilibrium measurements) are also being researched. Work is continuing on the critical assessment of the quality of data within the Project 911 database. Available literature data are compiled and categorized according to quality. Recommended data values and correlation statistics are provided as part of the Project 911 software product. To automate the data evaluation effort, a computerized Statistical Process Control (SPC) data review system has been designed. The Project 911 database is being developed to support engineering and regulatory calculations and to work in tandem with the estimation protocols established by Project 912 to predict properties for chemicals not readily available through literature sources.