« Previous AbstractPhosphorylation of RGS regulates MAP kinase localization and promotes completion of cytokinesis    Next AbstractA simple assay to study social behavior in Drosophila: measurement of social space within a group »

J Agric Food Chem

Title:		A simple structure-based calculator for estimating vapor pressure
Author(s):		Simmons KA;
Address:		"Discovery Research Department, Agricultural Products Group, FMC Corporation, Princeton, New Jersey 08543, USA. kirk_simmons@fmc.com"
Journal Title:		J Agric Food Chem
Year:		1999
Volume:		47
Issue:		4
Page Number:		1711 - 1716
DOI:		10.1021/jf980922+
ISSN/ISBN:		0021-8561 (Print) 0021-8561 (Linking)
Abstract:		The development of an estimator for vapor pressure based upon organic functional groups is described. This vapor pressure calculator permits prediction of vapor pressure for a wide range of structural classes. The statistical quality of the derived coefficients is presented as well as the quality of the prediction of the training set of compounds. The calculator is then used to predict the vapor pressure of recently introduced agrochemicals to illustrate its performance. The significance of this calculator is that the agrochemical scientist can readily estimate the effects on vapor pressure of altering specific structural features of a molecule
Keywords:		"Agriculture/methods Chemistry, Organic/methods Phenols/chemistry *Pressure Regression Analysis Soil/analysis *Volatilization;"
Notes:		"MedlineSimmons, K A eng 1999/11/24 J Agric Food Chem. 1999 Apr; 47(4):1711-6. doi: 10.1021/jf980922+"