The
Design Institute for Physical Properties (DIPPR) maintains
the DIPPR 801 database for the American Institute of Chemical Engineers.
The 801 database is the largest collection of critically evaluated,
pure-species, thermophysical property data in the world and is used
by engineers and academics. This paper is a response to misuse of
the DIPPR 801 database in the literature. To help researchers avoid
misuse, the critical evaluation process for property values is explained,
and common mistakes that occur in the literature are outlined. A guide
to using the DIPPR database for both academic and industrial use is
also included.
Molecular organic crystals are strategically designed for nonlinear optical applications using push-pull chromophores as the core feature. In this approach, electron-donating and accepting groups are connected through a π-conjugated bridge...
Quantitative Structure-Property Relationships (QSPRs) have found applications in many areas of chemistry and engineering as effective prediction methods. QSPRs use molecular descriptors to simplify complex molecular properties to a single value and have been used extensively for constant value properties. Liquid heat capacity (c l p ) is another property where QSPRs can be helpful prediction tools. Researchers have shown strong correlation between the c l p and various molecular descriptors, but these predictions are limited to a single temperature, usually 298.15 K. Additionally, other QSPRs have had problems with oxygen-containing functional groups. In this work, QSPRs for c l p at various temperatures were developed using data selected from the DIPPR database using a novel search method. This method improves on existing QSPRs for c l p by using unique descriptors but does not overcome the issue of oxygen-containing species.
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