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
     Question 1
     Question 2
           Answer
     Question 3
Problems

Question 2

Try to derive at least 10 incremental values for different molecular fragments from the data in the file Kaw.xls.

You may increase the accuracy of your increments if you use the average of several values for a specific fragment rather than just a single value.


Answer:

See the data from the table Kaw_increment.doc and compare with your increments.

 

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