Quantitative Structure−Property Relationship (QSPR) Correlation of Glass Transition Temperatures of High Molecular Weight Polymers
Alan R. KatritzkyCenter for Heterocyclic Compounds, University of Florida, Gainesville, Florida 32611-7200, and Institute of Chemical Physics, University of Tartu, 2 Jakobi Street, EE2400 Tartu, EstoniaSulev SildCenter for Heterocyclic Compounds, University of Florida, Gainesville, Florida 32611-7200, and Institute of Chemical Physics, University of Tartu, 2 Jakobi Street, EE2400 Tartu, EstoniaVictor S. LobanovCenter for Heterocyclic Compounds, University of Florida, Gainesville, Florida 32611-7200, and Institute of Chemical Physics, University of Tartu, 2 Jakobi Street, EE2400 Tartu, EstoniaMati KarelsonCenter for Heterocyclic Compounds, University of Florida, Gainesville, Florida 32611-7200, and Institute of Chemical Physics, University of Tartu, 2 Jakobi Street, EE2400 Tartu, Estonia
1998en
ABI
Annotatsiya
A new quantitative structure−property relationship (QSPR) five-parameter correlation (R2 = 0.946) of molar glass transition temperatures (Tg/M) for a diverse set of 88 polymers is developed with the Comprehensive Descriptors for Structural and Statistical Analysis (CODESSA) program. The descriptors are all calculated directly from the molecular structure, and the approach given is applicable, in principle, to all linear polymers of regular structure.
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