Forward Search from Material to Property

Find the structure parameters x and the properties y of a given compound at room temperature and pressure. What are the properties of the compound at elevated or lowered temperatures and pressures, as well as of other environmental variables, such as electromagnetic field and solar radiation, so that this search can be written as y = f x, T, P)1 

When the lead compound is subjected to various chemical and physical modifications, what are the various families of derivative materials that can be made with this technology, where the derived structure can be written as jc + Axl 

What are the properties of these derivative materials, y + Ay The derivative Ay /Ax is of particular interest, as it represents the property modifications resulting from structure modifications. This knowledge would be useful in exploring ways to improve product properties. 

The study of the function y = f x) starts from measurements of the properties of many compounds, and subsequent compilations into tables and databases. An analysis of these empirical observations can lead to useful associations and trends, and generalizations that may have predictive power. When a sufficiently large and systematic database has been accumulated, researchers will try to find correlations between a property y and predictors, which are parameters relating to molecular stmcture x, or other more easily available properties, y . 

Product engineers need to be familiar with the search methodologies outlined in the following sections. 

---

Do a forward search from materials to properties. Find the boiling points and melting points of 1-alcohols from Ci to C20. 

---