Reliable solubility data in the age of computerized chemistry. Why,
how, and when?*
John Rumble, Jr.,** Angela Y. Lee, Dorothy Blakeslee, and Shari Young
National Institute of Standards and Technology, 100
Bureau Drive MS 2310,Gaithersburg, MD 20899-2310, USA
Abstract: Since 1979, the International Union of Pure and Applied
Chemistry (IUPAC) Commission V.8 on Solubility Data has published over
70 compilations of evaluated data on the solubility of gases in liquids,
liquids in liquids, and solids in liquids. These volumes represent one
of the largest collections of chemical property data ever produced and
are the result of work of scientists throughout the world. In 1998,
IUPAC signed an agreement with the National Institute of Standards and
Technology (NIST) to continue the series by replacing the monographs
by articles in the Journal of Physical and Chemical Reference Data.
Five data compilations have already been published in the Journal, and
many more are under way. Recently, IUPAC and NIST have concluded another
agreement about computerizing all previously published IUPAC solubility
data. In this paper, we describe in detail the computerization of IUPAC
solubility data, with some emphasis on harmonizing data published over
a long time period. We describe the anticipated query paths that will
be supported. We also discuss some of the driving forces for making
these and other data resources available over the World Wide Web.
*Lecture presented at the 9th IUPAC International
Symposium on Solubility Phenomena (9th ISSP), Hammamet, Tunisia, 25
28 July 2000. Other presentations are published
in this issue, pp. 761844.
See reprint in Chem. Int.
2002, March, p. 8
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