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 8

In the figures below you can see experimental data for the equilibrium partitioning of organic compounds from air to two solvents at 25°C (only the regression lines through the measured values are depicted, not the values themselves).

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a) The measurements of the 1-alkenes in solvent 1 come from a different source than the rest of the data. Are they consistent with the rest of the data?

b) What can you say about the differences between the two solvents?

c) Mark where you would expect the experimental values for 1,4-butanediol and di-n-propylether in solvent 2. Explain your choice!



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