Sustainable Futures / P2 Framework Manual 2012 EPA-748-B12-001
5. Estimating Physical / Chemical and Environmental Fate Properties with EPI Suite™
5-1
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Estimating Physical / Chemical and Environmental Fate Properties with EPI Suite™ ......................5-1
5.1 How this Chapter is Organized ..................................................................................................5-1
5.2 Introduction to EPI Suite™.........................................................................................................5-1
5.2.1 What is EPI Suite™?..............................................................................................................5-1
5.2.2 How Does EPI Suite™ Work?................................................................................................5-2
5.2.3 Evaluations of and Case Studies using EPI Suite™..............................................................5-3
5.2.4 Running the Sample Chemical, Isodecyl Acrylate, in EPI Suite™.........................................5-4
5.3 Physical / Chemical Properties ..................................................................................................5-6
5.3.1 Melting Point (MP), Boiling Point (BP), Vapor Pressure (VP)................................................5-7
5.3.2 Water Solubility (WSol or WS) ...............................................................................................5-9
5.3.3 Octanol / Water Partition Coefficient (log Kow or log P) ......................................................5-11
5.4 Environmental Fate Properties.................................................................................................5-12
5.4.1 Properties Relating to Environmental Transport – HLC, Koc, BCF .....................................5-12
– Henry’s Law Constant (HLC) .........................................................................................................5-12
– Soil Adsorption Coefficient (Koc) ...................................................................................................5-13
– Bioconcentration Factor (BCF) ......................................................................................................5-14
5.4.2 Properties Relating to Environmental Persistence...............................................................5-15
– Biodegradation...............................................................................................................................5-15
– Atmospheric Oxidation Half-life .....................................................................................................5-16
– Hydrolysis Half-life .........................................................................................................................5-17
– Volatilization Half-life from Surface Waters ...................................................................................5-18
– Removal in Sewage Treatment Plant ............................................................................................5-19
5.5 Entering Predictions into SF Worksheet ..................................................................................5-20
5.6 Obtaining Additional Training Materials on EPI Suite™ ..........................................................5-21
5 Estimating Physical / Chemical and Environmental Fate
Properties with EPI Suite™
5.1 How this Chapter is Organized
This chapter discusses Physical / Chemical and Environmental Fate property estimated by EPI Suite™
and explains the significance of the property, how it is estimated, and how it contributes to risk
assessment. In addition, the sample chemical that will be the subject of the SF PMN in chapter 14
(isodecyl acrylate CAS 1330-61-6) will be run in EPI Suite™ (version 4.1), and the results for each
property will be interpreted and recorded in the Sustainable Futures Summary Assessment Worksheet.
The completed Worksheet for isodecyl acrylate is included in chapter 2.
When this manual was written the current version of EPI Suite™ was version 4.1. Please note that a
more recent version of EPI Suite™ may be available so check the download page for the current version.
EPI Suite™ can be downloaded at no cost from http://www.epa.gov/oppt/exposure/pubs/episuite.htm
.
5.2 Introduction to EPI Suite™
5.2.1 What is EPI Suite™?
EPI Suite™ is the EPI (Estimation Programs Interface) Suite™ and is a Windows®-based set of physical /
chemical property and environmental fate estimation programs developed by OPPT to screen new
chemicals lacking experimental data. The modules within EPI Suite™ version 4.1 are shown in the image
below which is the list from the Help screen on the Data Entry (Welcome) Screen. Each module has
detailed information on how the predictions are made. A user can enter information once into EPI Suite™
and estimate the following: