Quantitative prediction of K values

Introduction

Fragment models
sp-LFERs
pp-LFERs
Comparison of the various methods
Predictive models based on molecular structure

Critical remarks on approaches from chemical engineering

Selftest
Problems
     Problem 1
     Problem 2
     Problem 3
           Answer
     Problem 4
           Answer
     Problem 5
           Answer
     Problem 6
           Answer
     Problem 7
     Problem 8
     Problem 9

Problem 3

a) Calculate the Koc/water values of phenol and benzene with the software KOCWINTM supplied by U.S. EPA. Compare and discuss the results.

You can download the software (runs on windows) on this website: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm.

b) Calculate the Koc/water value of 1,2-ethanediol with KOCWINTM and discuss the result.