Dippr Project 801 ##TOP## Full Version

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The present work provides an automated check of the thermophysical-property consistency of the DIPPR database. The database of pure components was screened against the DIPPR 801 project, and the results from the DIPPR database showed strong consistency, with no apparent trends for specific classes of compounds. Among the different classes, the largest scatter was observed for aromatic compounds. Larger scatter was also observed for liquids and neat solids. This was mainly because thermodynamic and transport properties of liquids and neat solids, were less well-defined than those of solids and gaseous compounds.

The present work focuses on the validation of the thermophysical properties of molecules that are stored in the DIPPR database. In the original DIPPR Database, the QSPR models were validated using a dataset consisting of a random selection of 20% of the components in the database. In the present study, the same dataset was used to validate the results predicted from the database.

The DIPPR project (801) intends to be a long-term, on-going database for collecting fundamental material and process engineering data for industrially important chemicals. The DIPPR consists of a Data Submission System which allows the deposit of chemical property data of interest for the database and a Data Management and Evaluation System which allows queries to the database for property data of interest using a chemistry framework and which provides summaries of the data contained in the database. The database allows, for the first time, the user to initiate searches with simple queries such as - provide the boiling point and the density of the substance under evaluation - and to refine those queries by searching for specific temperature properties of the material. The database is intended to contain basic property data for substances of industrial importance. Data is collected and evaluated by established group of authors in an international collaboration. This group consists of authors from University of Tsukuba, University of York, University of Cambridge, National Chemical Laboratory, University of Liverpool, Institute of Chemical Engineers, Tekes and other leading institution. The report of this evaluation is published in the Journal of Thermophysical and Fluid Properties, volume 52, number 5. 9-21, 2010. DIPPR (801) facilitates two-way exchanges between scientists and institutions in the pursuit of scientific knowledge in thermodynamics and physical properties. This kind of exchange is directly connected to the advancement of industry in the thermophysical and fluid properties region. The DIPPR database provides data such as: boiling points, standard molar enthalpies of vaporization, heat capacities at constant pressure and temperature, viscosity, refractive indices, density, thermal conductivity, and thermal expansion coefficients. 3d9ccd7d82

Dippr Project 801 ##TOP## Full Version

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