ENVIRON International Corporation 

EMISSION PROFILES FOR EPA SPECIATE DATABASE, PART 2: EPAct FUELS 

(Exhaust Emissions) 

EPA Contract No. EP-D-07-102 

Work Assignment No. 1-09 

Prepared for:

Patricia Rowley 

Office of Transportation and Air Quality 

U.S. Environmental Protection Agency 

Ann Arbor, MI 48105 

Prepared by:

Chris E. Lindhjem 

ENVIRON International Corporation 

773 San Marin Drive, Suite 2115 

Novato, CA 94998 

September 30, 2008 

773 San Marin Drive, Suite 2115, Novato, CA 94998 415.899.0700 
September 2008 

G:\EPA-WA1-09\Speciation_Report_93008 final exhaust.doc i

TABLE OF CONTENTS 

Page 

1. INTRODUCTION................................................................................................................ 1-1 

1.1 Purpose of Study.............................................................................................................. 1-1 

1.2 Project Objectives ............................................................................................................ 1-1 

2. 2.0 DATA COMPILATION................................................................................................ 2-1 

2.1 Emissions Studies Used ................................................................................................... 2-1 

2.2 Data Compilation and Average Profiles .......................................................................... 2-1 

2.3 Average Profiles............................................................................................................... 2-2 

APPENDICES 

Appendix A: Quality Assurance Project Plan 

Appendix B: Speciation Results 

TABLES 

Table 2-1. Data samples used in this study ................................................................................. 2-1 
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1.0 INTRODUCTION

1.1 Purpose of Study 

The EPA maintains a database of emission profiles representative of mobile and stationary 

sources for use as inputs to models that provide insight to the future affects of transportation and 

fuels on the ambient air. The SPECIATE profiles have characteristics variable upon the emission 

source function, applied control methods, and often source fuel type. As the transportation 

industry standards change, control technologies become more stringent, and fuel composition 

begins to become more variable the existing SPECIATE profiles become out of date. Currently, 

transportation fleets are expected to begin using renewable fuels as an increasing rate which will 

alter the tailpipe emissions. Also, passenger cars and trucks are moving to more Tier II type 

vehicles which, at present, are not accurately represented in SPECIATE. The fleet turnover and 

fuel type changes provide the basis for the development of new passenger car and truck 

SPECIATE profiles. 

1.2 Project Objectives 

The purpose of this work was to: 1) review data collected from EPA that have volatile organic 

carbon (VOC) exhaust emissions data where the test fuels contain ethanol at nominally 0% 

volume (E0), E10, and E15, 2) recommend speciation profiles most applicable to current and 

future technologies and fuels, 3) prepare speciation profiles in SPECIATE, and 4) produce 

SMOKE-ready profiles. 
September 2008 

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2.0 DATA COMPILATION 

2.1 Emissions Studies Used 

The data study considered for this study was the EPAct Phase I testing that include exhaust 

speciation testing with three types of gasoline (1) without ethanol, (2) with 10% ethanol (E10), 

and (3) 15% ethanol (E15). Table 2-1 provides the sample sizes for this test data. 

Table 2-1. Data samples used in this study. 

Emission 

Profile E0 E10 E15 

Exhaust EPA-OTAQ Testing of 

Light-duty vehicles (19 

Vehicles and 47 Tests) 

EPA-OTAQ Testing of 

Light-duty vehicles (19 

Vehicles and 61 Tests) 

EPA-OTAQ Testing of 

Light-duty vehicles (19 

Vehicles and 46 Tests) 

2.2 Data Compilation and Average Profiles 

From the studies, individual data points from each vehicle and fuel combination were analyzed 

and categorized by EPA SPECIATE chemical compositional type. The individual data points 

were grouped and quality assured using the procedure described in the Appendix A that provides 

the Quality Assurance Project Plan (QAPP). Appendix B shows the final profiles and the EPA 

SPECIATE4 identification of each compound. In very few cases, where the measured compound 

was not an exact match to a species in SPECIATE4, the most similar SPECIATE4 compound 

was used. These are provided in Appendix B. 

The EPA provided data processed by SwRI for each of the fuel types (E0, E10, E15). These data 

consisted of detailed analysis for paraffins, olefins, oxygenates, aromatics, aldehydes, ketones, 

and alcohols. The data were provided in an identical form for all fuel types allowing the process 

of aggregating the data to be a single method. 

The data produced by SwRI was based upon the California Unified Cycle (LA92) test cycle 

distances and FTP-75 weighting factors, which reports three phases (also called “bags”) of the 

cycle. The first phase began with a cold engine and simulates a 1.2-mile emissions cycle. The 

second phase was executed with a previously warmed engine as it simulates the running phase of 

8.6 miles. The third phase is identical to the first phase with the exception that it is simulated 

with a ten-minute soaked engine after the running phase. Three of the vehicles tested consisted of 

results for all test cycles and a composite result. The composite result was produced as a 

weighted average of weighted test cycle values. SwRI had previously calculated the composite 

value for the hydrocarbons. The weights applied to each phase were identical to the FTP-75 and 

were applied as follows: cold start weighted by 0.43, running phase by 1.0, and hot start by 0.57 

where the one test of the running phase is counted for both in the cold and hot phase calculations 

so it sums to one. With the weights applied to the corresponding phase a weighted average was 

calculated based upon the LA-92 phase distances. The calculation of the composite value was 

applied to the aldehydes, ketones, and alcohols of the three vehicles that contained composite 

data for the hydrocarbons (Honda Civic, Toyota Sienna, and the Chevy Silverado). 

The summary of the data was broken into three sections: first phase emissions for all vehicles, 

composite emissions for three vehicles, and running emissions for all vehicles. The E0 cold start 
September 2008 

phase for all vehicles consisted of 42.12% paraffins, 27.15% olefins, 27.46% aromatics, and 

some other compound classes. The E10 data resulted in lowered paraffins at 41.31%, reduced 

olefins at 24,93%, and slightly lowered aromatics at 26.83%. A similar trend was found for the 

E15 fuel with the exception of the olefins which increased slightly from the E10 value to 

25.39%. The paraffins were at 40.36% and the aromatics were at 24.43%. 

The composite data for three vehicles was provided quite different results. By inspecting the data 

of any vehicle it can be noticed that the quantity of results for the running phase and the hot start 

phase are meager in comparison to the quantity of results obtained for the cold start phase. The 

E0 fuel provided 49.39% paraffins, 20.57% olefins, and 24.18% aromatics. E10 values declined 

slightly and provided 45.12% paraffins, 18.80% olefins, and 25.33% aromatics. Differing from 

the trend between E0 and E10, E15 grew in value from E10 to 49.23% paraffins, 20.06% olefins, 

and 22.16% aromatics. 

2.3 Average Profiles 

The final average profiles are provided in Appendix B. The profiles prepared were composite 

and cold start exhaust profiles for E0, E10, and E15. 

G:\EPA-WA1-09\Speciation_Report_93008 final exhaust.doc 2-2 
APPENDIX A 

Quality Assurance Project Plan 
773 San Marin Drive, Suite 2115, Novato, CA 94998 415.899.0700 

 ENVIRON International Corporation 

Quality Assurance Project Plan 

EMISSION PROFILES FOR EPA SPECIATE DATABASE, PART 2: EPAct FUELS 

EPA Contract No. EP-D-07-102 

Work Assignment No. 1-09 

Prepared for:

Patricia Rowley 

Office of Transportation and Air Quality 

U.S. Environmental Protection Agency 

Ann Arbor, MI 48105 

Prepared by:

Chris E. Lindhjem 

ENVIRON International Corporation 

773 San Marin Drive, Suite 2115 

Novato, CA 94998 

September 30, 2008 
September 2008 

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TITLE AND APPROVAL PAGE 

QA Project Plan Identification and Approval 

Title: Emission Profiles for EPA SPECIATE Database, Part 2: EPAct Fuels (EP-D-07-102, WA 

1-09) 

Category: IV 

The included QAPP for this assignment and associated documentation is hereby recommended 

for approval and commits the participants of the program to follow the elements described 

within. 

Signature: Date: ______________ 

 Ruth Schenk, QA Manager, US EPA, OTAQ 

Signature: Date: ______________ 

 Patricia Rowley, Work Assignment Manager, US EPA, OAQPS 

Signature: Date: ______________ 

 Sarav Arunachalam, QA Manager, 

 CEMPD, Institute for the Environment, University of North Carolina at Chapel Hill 

Signature: Date: ______________ 

 Alison Eyth, Contract Program Manager, 

 CEMPD, Institute for the Environment, University of North Carolina at Chapel Hill 

Signature: Date: ______________ 

 Chris Lindhjem, Subcontractor Work Assignment Manager, ENVIRON International 

 Corporation 
September 2008 

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TABLE OF CONTENTS 

Page 

1.0 PROJECT OBJECTIVES, ORGANIZATION, AND RESPONSIBILITIES ............... 1-1 

1.1 Purpose of Study.............................................................................................................. 1-1 

1.2 Project Objectives ............................................................................................................ 1-1 

1.3 Secondary Data Required by the Project ......................................................................... 1-1 

1.4 Planned Approach for Evaluating Project Objectives ..................................................... 1-2 

1.5 Responsibilities of Project Participants ........................................................................... 1-2 

2.0 SOURCES OF SECONDARY DATA ............................................................................... 2-1 

2.1 Sources of Secondary Data Used..................................................................................... 2-1 

2.2 Rationale for Selecting Data Sources .............................................................................. 2-1 

2.3 Identify Sources of Secondary Data in all Deliverables .................................................. 2-1 

3.0 QUALITY OF SECONDARY DATA................................................................................ 3-1 

3.1 Quality Requirements of Secondary Data........................................................................ 3-1 

3.2 QA Procedures................................................................................................................. 3-1 

3.3 Data Representativeness .................................................................................................. 3-3 

4.0 DATA REPORTING, DATA REDUCTION, AND DATA VALIDATION .................. 4-1 

4.1 Data Reduction Procedures.............................................................................................. 4-1 

4.2 Data Validation Procedures ............................................................................................. 4-1 

4.3 Expected Product Document............................................................................................ 4-1 

TABLES 

Table 4-1. SPECIATE surrogates used in the final profiles........................................................ 4-2 

Table 4-2. Completed speciation tool runs.................................................................................. 4-3 
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1.0 INTRODUCTION

1.1 Purpose of Study 

In order to model the impact of air pollutant emissions, both the mass emissions of criteria 

pollutants and chemical composition of those air pollutant emissions must be estimated. EPA 

maintains a database of chemical compositions called ‘speciation profiles’ for various emission 

sources. The speciation profiles are collected in a database program called SPECIATE that 

maintains the record of each profile with its referenced source, testing methods, and other 

detailed data allowing researchers to decide which profile is most suitable. 

Because of the greater use of ethanol in gasoline fuel blends, EPA needs to accurately identify 

the speciation of hydrocarbon emissions from use of these fuels in gasoline-fueled engines and 

on-road vehicles now and in the future. The use of the resulting speciation profiles for these 

gasoline blends includes the evaluation of toxics and ozone forming potential among other 

potential uses for a speciation profile. 

Most emissions models estimate the total criteria pollutant emissions such as volatile organic 

carbon (VOC), but not individual components. So the speciation profile is use to distribute 

hydrocarbon (such as VOC) mass emissions to estimate the quantity of individual species. 

The EPA maintains a database of emission profiles representative of mobile and stationary 

sources for use as inputs to models that provide insight to the future affects of transportation and 

fuels on the ambient air. The SPECIATE profiles have characteristics variable upon the emission 

source function, applied control methods, and often source fuel type. As the transportation 

industry standards change, control technologies become more stringent, and fuel composition 

begins to become more variable, the existing SPECIATE profiles become out of date. Currently, 

transportation fleets are expected to begin using renewable fuels as an increasing rate, which will 

alter the tailpipe emissions. Also, passenger cars and trucks are moving to more Tier II type 

vehicles, which, at present, are not accurately represented in SPECIATE. The fleet turnover and 

fuel type changes provide the basis for the development of new passenger car and truck 

SPECIATE profiles. 

1.2 Project Objectives 

The purpose of this work was threefold: 1) review data collected from EPA, 2) recommend 

speciation profiles most applicable to current and future technologies and fuels, 3) prepare 

exhaust emission speciation profiles for E0, E10, E15, E20, and E85 speciation profiles in 

SPECIATE and SMOKE formats. Exhaust data however was only available for E0, E10, and 

E15. 

1.3 Secondary Data Required by the Project 

The secondary data used for this study were a series of studies identified by EPA as appropriate 

for use in this study. This background data and accompanying reports were reviewed and had to 

provide information about the vehicles and fuels used in the testing program. 
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1.4 Planned Approach for Evaluating Project Objectives 

The planned approach was to quality assure the data for relevancy to the project goal. ENVIRON 

determined that the studies conform to accepted test procedures, the EPA confirmed that the test 

results use representative fuels and vehicles, and contain all the necessary chemical composition 

data. The test data that conformed were collected in a format to identify outlier data points for 

further analysis and consideration. Lastly composition average profiles were determined from 

the relevant and conforming data sets. 

1.5 Responsibilities of Project Participants 

The ENVIRON project participants and their responsibilities are as follows: 

Participant Project Responsibility 

Chris Lindhjem Project manager 

Tim Sturtz Data Analyst 

Tejas Shah Chemist / SPECIATE Profile Development 

Michele Jimenez SMOKE Profile Development 

In addition, EPA staff participated in the analysis and review of the individual and composite 

profiles developed under this work assignment. 
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2.0 SOURCES OF SECONDARY DATA 

2.1 Sources of Secondary Data Used 

The data sources used in this study was EPA testing. (EPA, Office of Transportation and Air 

Quality, ‘EPAct Phase I Testing (exhaust; E0, E10, E15; 19 vehicles)’) 

2.2 Rationale for Selecting Data Sources 

EPA selected the test data because these studies included represent the most comparable 

nonethanol and ethanol containing fuels used in late model vehicles. It was necessary that the 

fuel be consistent with one another, so that the chemical composition between the fuels best 

represents the effect of ethanol on emissions. The use of this study was to forecast the changes 

in emissions of individual compounds in the future with wider use of ethanol blended product. 

2.3 Identify Sources of Secondary Data in all Deliverables 

A database approach was used that included identifiers of the test data by the original study 

reference. Individual data points also had vehicle and fuel identifiers that referred back to 

properties outlined in each study. 
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3.0 QUALITY OF SECONDARY DATA 

3.1 Quality Requirements of Secondary Data 

The secondary data was required to meet a number of criteria and include sufficient description 

to evaluate the study prior to its use. These standards are outlined in more detail under the QA 

procedures, but in general the study must be representative and follow appropriate procedures 

prior to consideration of the underlying chemical composition profiles produced. Additional QA 

steps of the results of qualifying studies to ensure defensible results are also described. 

3.2 QA Procedures 

The approach used for this study included a series of steps designed to result in consistent 

speciation profiles for emissions from vehicles using ethanol blended gasoline and gasoline 

without ethanol. There were several steps in determining the appropriateness and consistency of 

the secondary data used as outlined here. 

1) Were the vehicles and fuels representative? 

a) The EPA determined whether or not the fuels and vehicles were considered 

representative and provided ENVIRON with data that met their criteria. 

2) Was the emission testing conducted properly? 

a) Vehicle preparation must be conducted according to the Code of Federal Regulations 

(CFR) approach. 

b) Representative test cycles need to be used. 

c) The criteria pollutant emissions must be measured according to the CFR. 

d) Individual chemical components must be measured according the CFR procedures for 

alcohols and aldehydes, and other organic species collected and analyzed by standard gas 

chromatographic techniques such as those used by EPA’s Office of Research and 

Development. 

After determining that the testing was conducted properly, EPA provided ENVIRON the data. 

ENVIRON then downloaded and collocated the individual data results by fuel and vehicle into a 

series of chemical composition profiles to compare with one another. 

The resulting dataset was reviewed by ENVIRON and provided to EPA to compare one 

measurement to another. Individual test data that exhibited outlier behavior for individual 

compounds or sets of compounds were excluded from the dataset used to determine the average 

chemical composition. EPA and ENVIRON agreed on the method to define an outlier, which 

was three standard deviations from the average for compounds that represented more than 1% of 

the total composition. The test data revealed outlier behavior primarily because individual 

compounds were extraordinarily high or, more often, the measurement excluded a large number 

of compounds that are found in all studies of such exhaust components. 

3.2.1 Methodology

The methodology of analyzing the data involved pulling the data from the test cycle specific and 

fuel specific excel sheet, combining the data is one workbook, calculating the percentage of each 

compound for each test cycle, performing quality assurance on all of the data points, and finally 
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averaging the data by compound to form a profile for the fuel type. The data was mined from the 

raw data files mailed by the EPA using a visual basic macro written to extract a specified column 

from the data set for all files in a given directory. This process was executed once for the 

hydrocarbons, once for the aldehydes and ketones, and once for the alcohols for each fuel type. 

Once executed an excel workbook would exist for each fuel type that contained three worksheets 

that correspond to the three compound types (i.e. hydrocarbons, aldehydes and ketones, and 

alcohols). These worksheets were combined into one worksheet such that column A of the 

worksheet contained compound names for hydrocarbons, aldehydes, ketones, and alcohols and 

for each column to the right emission rates of the organic compounds (mg/mi) followed with a 

test cycle as a column header. This was the ‘initial data’ setup used to analyze the data. Chemical 

Abstract Service numbers were applied to the compounds for ease of identification with 

SPECIATE. 

Below the ‘initial data’ the percentage of a compound within a test cycle was calculated for all 

cycles. The ‘percentage data’ was then used for the quality assurance (QA) process. To setup the 

QA the average of the percentages was taken, the standard deviation of the percentages was 

calculated, the values three standard deviations below the mean were calculated, and three 

standard deviations above the mean were calculated for each compound. These QA statistics 

were calculated to the right of the ‘percentage data’. The ‘outlier identification’ procedure was 

laid out to the right of the ‘initial data’. For every compound and every test cycle an IF statement 

was executed to check if the percentage data corresponding to the test cycle and compound was 

greater than 1% and if so if it was within three standard deviations of the mean values for that 

compound. If a given value was found not to be within this criteria the cell was identified as an 

outlier and if it was within the criteria the cell was left blank. At the bottom of each test cycle the 

sum of the outliers was calculated. The ‘percentage values’ were then duplicated below the 

‘outlier identification’ for the purpose of identifying which test cycles would be removed. The 

‘percentage value’ test cycles were aligned with the QA test cycle columns and the count of 

outliers was located at the top of the duplicated percentage values. If a test cycle had one or more 

outliers the data was subsequently removed from the duplicated percentage data for the whole 

test cycle. Once all the outliers were removed the average of the percentages was calculated at 

the right side of the duplicated data. This average represented the profile for that fuel type and 

collection of vehicles. If no outliers had been found the percentage values were not duplicated 

and the average of the percentage data was calculated to the right of the original percentages. 

3.2.2 Composite Value Calculations

This process was altered slightly when considering the composite exhaust profile and the hot 

exhaust profile. The composite value profile represents the three vehicles that contained data for 

the second two phases which were the Honda, Civic, Toyota Sienna, and the Chevy Silverado. 

The data for these vehicles provided by the EPA contained columns for bag one, two, and, three 

for the hydrocarbons, aldehydes and ketones, and the alcohols. However, for the hydrocarbons 

there was also a composite value column. The information provided by EPA within the raw data 

files regarding composite calculations stated “LA 92 Test Cycle. Weighted Composite values 

(where reported) calculated using standard FTP weighting factors (i.e., Cold=0.43 Hot=0.57).” 

Using the FTP weighting factors and a LA92 test cycle distances ENVIRON was able to 

calculate composite values for the aldehydes, ketones, and alcohols. The equation used to do so 

was derived from the test cycle information on DieselNet. The FTP-75 uses weighting factors of 

0.42 for cold start, 1.0 for running, and 0.57 for hot start and the LA92 distances are 1.2 miles for 

the first segment, 8.6 for the second, and 1.2 for the third and final segment. The supplied 

composite results were recreated using the derived equation and resulted in approximately the 
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same value. Confirmation to use the equation was provided by the EPA. The equation used for 

composite values is shown below that corresponded to the calculation results in the data provided 

by EPA. It is useful to note that this work was interested in relative chemical composition of 

emissions not actual emissions in grams per miles, so the relative weighting in the numerator of 

the equation presented here is the important consideration. 

The number of test data considered was three vehicles, and of that number no significant outliers 

were determined. 

3.2.3 Cold Start Calculations

The cold start profiles were created with a larger data set of 19 vehicles tested with some 

vehicles tested more than once for each fuel type. The numbers of significant outliers were 

determined to be 10 for E0 out of 49 samples, 9 for E10 out of 44 samples, and 9 for E15 out of 

46 samples. 

3.2.4 Hot Running Value Calculations

The hot running exhaust value calculation differed from the composite value calculations 

because the first segment of the LA92 cycle was not taken into consideration. This calculation 

was executed upon the hydrocarbons as well as the aldehydes, ketones, and alcohols unlike the 

composite values which did not require hydrocarbon calculations. 

If the test cycle was reported as non-detect (ND) the value was considered to be zero therefore if 

both hot cycles were ND the hot phase value would also be zero. A separate profile for running 

emissions based solely on data from Bags 2 and 3 was not developed because emission rates for 

a significant number of expected combustion products were below detection limits in these bags, 

limiting the potential usefulness of a running profile. 

3.3 Data Representativeness 

The representativeness of the vehicles and fuels was determined by the EPA. Once the EPA had 

approved or rejected a fuel or vehicle ENVIRON was notified and the analysis was affected 

accordingly. 
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4.0 DATA REPORTING, DATA REDUCTION, AND DATA VALIDATION 

4.1 Data Reduction Procedures 

Once the individual profiles were collected and outliers determined, the profiles were combined 

as average profiles. The averaging approach as agreed upon by EPA was to average profiles 

without regard to the total emissions of each vehicle. The averaging of individual profiles rather 

than weighting the profiles by the total emissions looks toward future vehicles, which are 

expected to have lower emissions in general. 

4.2 Data Validation Procedures 

The averaged profiles were compared with each other to determine if the fraction of compounds 

in the profiles were representative of the fuel vehicle combination and consistent with on 

another. For instance, ethanol and partial degradation products such as acetaldehyde would be 

expected in higher quantities with ethanol blended fuels. The other compounds should be found 

in lower quantities than is found with the use of fuels without ethanol. The chemical compounds 

of greatest interest were defined in agreement with EPA, but included benzene, 1,3-butadiene, 

formaldehyde, and acetaldehyde at a minimum. Within the list of chemical species of interest, 

ENVIRON and EPA agreed upon the criteria to identify outlier results. Outlier criteria took the 

form of three standard deviations from the mean value for compounds contributing more than 

1% to the chemical composition. The rationale for only considering compounds found with 1% 

is that some minor compounds with an average of less than 1% of the total may violate the three 

standard deviation limit only because average values are small, invalidating an otherwise 

reasonable data sample. Likewise, an error in a compound found in small quantities will have 

minimal impact on the final average compositional analysis. 

4.3 Product Document 

The final report describes the average and individual profiles and reports used. The individual 

profiles were provided in Excel or Database formats, and the average composition profiles were 

provided in SPECIATE and SMOKE-ready formats. In very few cases, where the measured 

compound was not an exact match to a species in the SPECIATE4 profile, the most similar 

SPECIATE4 compound was used and these are provided in the final report and in the summary 

databases provided. The report detailed the studies used and their representativeness and profiles 

used for the final analysis and those quality assurance steps necessary to produce consistent and 

representative profiles. 

In rare cases, compounds measured for the profiles did not have a one to one match with a 

SPECIATE identification code. A list of the compounds and the closest SPECIATE match that 

were used to create profiles are listed in Table 4-1. 
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Table 4-1. SPECIATE surrogates used in the final profiles. 

Composite Exhaust Profiles

Original Chemical Analysis SPECIATE Substitution 

Dimethylbenzaldehyde 2,5-Dimethylbenzaldehyde 

Unidentified C9-C12+ C9-C12 isoalkanes 

Cold Start (Bag 1) Profiles 

Original Chemical Analysis SPECIATE Substitution 

3,4 Dimethylcumene 1,3-dimethyl-4-isopropylbenzene 

2-Methylbutylbenzene (Sec Amylbenzene) 1-Methyl-2-n-butylbenzene 

1-Trans-2-Cis-4-Trimethylcyclopentane 1,2,3-trimethylcyclopentane 

Tert-1-Butyl-4-Ethylbenzene 1-(1,1-dimethylethyl)-3,5-dimethylbenzene 

Methylpropylbenzene (Sec Butylbenzene) (1-Methylpropyl)benzene 

ENVIRON used the following procedure to prepare SMOKE profiles. The Speciation Tool1 was 

employed to generate the speciation input files required by SMOKE. These include both the 

speciation profiles GSPRO and the pollutant-to-pollutant (VOC-to-TOG) conversion factors 

GSCNV files. The Speciation Tool version 2 is a PostgreSQL database application developed by 

ENVIRON for EPA. 

The new profiles, defined by profile identifier, species identifier (unique identifier from 

SPECIATE 4.0) and weight percent of species, were imported to the Speciation Tool. Outputs 

were generated based on the chemical mechanism Carbon Bond version 2005 (CB05). The 

CB05 mechanism defines how much of the mass of each species or compound (for example, 2-

methylpentane, N-butane, etc.) is attributed to each of the lumped air quality modeling 

compounds; PAR, OLE, TOL, XYL, FORM, ALD2, ETH, ISOP, MEOH, ETOH, CH4, ETHA, 

IOLE, ALDX, TERP, UNR, NVOL. Based on the moles-per-moles factor of the CB05 

mechanism and the weight percent of the input speciation profile the Speciation Tool computes 

the criteria VOC split factors. 

The Speciation Tool requires the SMOKE inventory table, INVTABLE, which indicates if a 

compound is to be treated as a toxic and whether it is an active or tracer compound. The 

INVTABLE, invtable_hapcap_cb05soa_12sep2008_v3.txt, was provided to ENVIRON via 

email on 22 Sep 2008 by Madeleine Strum of EPA/OAQPS/EMAD/Air Quality Modeling 

Group. This application, significantly different from previous versions, indicates four toxic 

compounds. The active toxics are acetaldehyde, methyl alcohol, and formaldehyde. Benzene is 

specified as a tracer toxic. Table 4-2 identifies the four runs that were completed for this task. 

 

1

 ENVIRON. 2007. Speciation Tool User’s Guide, Version 2.0. September. 
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Table 4-2. Completed speciation tool runs. 

Run Type Mechanism Description 

No toxics CB05 All VOC model species, including toxic VOC species, 

are computed from criteria VOC emissions. 

No toxics CMAQ_CB05_SOA Benzene is the sole mechanism compound; with SOA 

mechanism application. 

Integrate toxics CB05 HAPs species (determined from INVTABLE) are to be 

integrated from a separate emission inventory. Part of 

the criteria VOC mass is replaced with HAP VOC mass. 

No HAP usea CMAQ_CB05_SOA_TX The mechanism definition maps all species to 

FORM_PRIMARY, ALD2_PRIMARY, BENZENE, and 

NONBAF. Indicates SOA mechanism application. a

 The mechanism files, INVTABLE, and sample control file for the no HAP use case were provided to ENVIRON via email by 

Allan Beidler on 25 Sep 2008. 
APPENDIX B 

Chemical Composition Profiles 
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G:\EPA-WA1-09\Speciation_Report_93008 final exhaust.doc B-1 

Table B-1. Composite exhaust profiles. 

Compound CAS Number E0 E10 E15 

Methane 74-82-8 18.46% 21.79% 21.13%

Ethane 74-84-0 2.72% 2.99% 3.08%

Ethylene 74-85-1 9.55% 9.74% 10.09%

Propane 74-98-6 0.13% 0.10% 0.00%

Propylene 115-07-1 3.79% 4.05% 3.87%

Acetylene 74-86-2 1.32% 1.61% 1.46%

Propadiene 463-49-0 0.00% 0.00% 0.00%

Butane 106-97-8 3.70% 3.95% 2.70%

Trans-2-Butene 624-64-6 0.43% 0.11% 0.13%

1-Butene 106-98-9 0.64% 0.41% 0.36%

2-Methylpropene (Isobutylene) 115-11-7 1.54% 2.00% 1.99%

2,2-Dimethylpropane (Neopentane) 463-82-1 0.00% 0.00% 0.00%

Propyne 74-99-7 0.00% 0.00% 0.00%

1,3-Butadiene 106-99-0 1.03% 0.70% 0.13%

2-Methylpropane (Isobutane) 75-28-5 0.00% 0.00% 0.00%

1-Butyne 107-00-6 0.00% 0.00% 0.00%

Cis-2-Butene 590-18-1 0.31% 0.00% 0.09%

3-Methyl-1-Butene 563-45-1 0.00% 0.00% 0.00%

2-Methylbutane (Isopentane) 78-78-4 2.16% 0.64% 8.25%

2-Butyne 503-17-3 0.00% 0.00% 0.00%

1-Pentene 109-67-1 0.00% 0.00% 0.00%

2-Methyl-1-Butene 563-46-2 0.00% 0.00% 0.00%

Pentane 109-66-0 0.50% 0.00% 0.82%

Unidentified C5 Olefins #N/A 0.00% 0.00% 0.00%

2-Methyl-1,3-Butadiene 78-79-5 0.15% 0.00% 0.75%

Trans-2-Pentene 646-04-8 0.21% 0.00% 0.15%

3,3-Dimethyl-1-Butene 558-37-2 0.00% 0.00% 0.00%

Cis-2-Pentene 627-20-3 0.12% 0.00% 0.30%

2-Methyl-2-Butene 513-35-9 0.45% 0.00% 0.00%

Cyclopentadiene 542-92-7 0.20% 0.00% 0.00%

2,2-Dimethylbutane 75-83-2 0.01% 0.00% 0.00%

Cyclopentene 142-29-0 0.11% 0.00% 0.00%

4-Methyl-1-Pentene 691-37-2 0.00% 0.00% 0.00%

3-Methyl-1-Pentene 760-20-3 0.00% 0.00% 0.00%

Cyclopentane 287-92-3 0.07% 0.00% 0.00%

2,3-Dimethylbutane 79-29-8 0.54% 0.00% 0.00%

4-Methyl-Cis-2-Pentene 691-38-3 0.00% 0.00% 0.00%

2-Methylpentane 107-83-5 0.96% 1.06% 0.75%

4-Methyl-Trans-2-Pentene 674-76-0 0.00% 0.00% 0.00%

3-Methylpentane 96-14-0 0.63% 1.11% 0.35%

2-Methyl-1-Pentene 763-29-1 0.00% 0.10% 0.11%

1-Hexene 592-41-6 0.00% 0.10% 0.11%

Hexane 110-54-3 0.25% 3.30% 1.01%

Unidentified C6 #N/A 0.11% 0.00% 0.00%

Trans-3-Hexene 13269-52-8 0.00% 0.00% 0.00%

Cis-3-Hexene 7642-09-3 0.00% 0.00% 0.00%

Di-Isopropyl Ether 108-20-3 0.00% 0.00% 0.00%

Trans-2-Hexene 4050-45-7 0.07% 0.00% 0.00%

3-Methyl-Trans-2-Pentene 616-12-6 0.09% 0.00% 0.00%

2-Methyl-2-Pentene 625-27-4 0.06% 0.00% 0.00%

3-Methylcyclopentene 1120-62-3 0.00% 0.00% 0.00%

Cis-2-Hexene 7688-21-3 0.00% 0.00% 0.00%

3-Methyl-Cis-2-Pentene 922-62-3 0.15% 0.00% 0.00%

2,2-Dimethylpentane, Note A 590-35-2 0.14% 0.05% 0.00%

Methylcyclopentane, Note A 96-37-7 0.13% 0.05% 0.00%
September 2008 

G:\EPA-WA1-09\Speciation_Report_93008 final exhaust.doc B-2 

Compound CAS Number E0 E10 E15 

2,4-Dimethylpentane 108-08-7 0.41% 0.00% 0.00%

2,2,3-Trimethylbutane 464-06-2 0.01% 0.00% 0.00%

3,4-Dimethyl-1-Pentene 7385-78-6 0.00% 0.00% 0.00%

1-Methylcyclopentene 693-89-0 0.03% 0.00% 0.00%

Benzene 71-43-2 5.70% 4.26% 4.14%

3-Methyl-1-Hexene 3404-61-3 0.00% 0.00% 0.00%

3,3-Dimethylpentane 562-49-2 0.00% 0.00% 0.00%

Cyclohexane 110-82-7 9.84% 5.64% 0.95%

2-Methylhexane 591-76-4 0.05% 0.00% 0.58%

2,3-Dimethylpentane 565-59-3 0.25% 0.35% 0.00%

1,1-Dimethylcyclopentane 1638-26-2 0.00% 0.00% 0.00%

Tert-Amyl Methyl Ether 994-05-8 0.00% 0.00% 0.00%

Cyclohexene 110-83-8 0.24% 0.00% 0.00%

3-Methylhexane 589-34-4 0.10% 0.00% 0.19%

Cis-1,3-Dimethylcyclopentane 2532-58-3 0.00% 0.00% 0.00%

3-Ethylpentane 617-78-7 0.00% 0.00% 0.00%

Trans-1,2-Dimethylcyclopentane 822-50-4 0.00% 0.00% 0.00%

Trans-1,3-Dimethylcyclopentane 1759-58-6 0.00% 0.00% 0.00%

1-Heptene 592-76-7 0.00% 0.00% 0.00%

2,2,4-Trimethylpentane 540-84-1 3.41% 1.50% 2.16%

2-Methyl-1-Hexene 6094-02-6 0.00% 0.00% 0.00%

Trans-3-Heptene 14686-14-7 0.00% 0.00% 0.00%

Heptane 142-82-5 0.03% 0.00% 1.03%

Cis-3-Heptene 7642-10-6 0.00% 0.00% 0.00%

Unidentified C7 #N/A 0.04% 0.00% 0.00%

2-Methyl-2-Hexene 2738-19-4 0.00% 0.00% 0.00%

3-Methyl-Trans-3-Hexene 3899-36-3 0.00% 0.00% 0.00%

Trans-2-Heptene 14686-13-6 0.00% 0.00% 0.00%

3-Ethyl-Cis-2-Pentene #N/A 0.00% 0.00% 0.00%

2,4,4-Trimethyl-1-Pentene 107-39-1 0.00% 0.00% 0.52%

2,3-Dimethyl-2-Pentene 10574-37-5 0.00% 0.00% 0.00%

Cis-2-Heptene 6443-92-1 0.00% 0.00% 0.00%

Methylcyclohexane 108-87-2 0.00% 0.19% 1.51%

Cis-1,2-Dimethylcyclopentane 2452-99-5 0.00% 0.00% 0.00%

2,2-Dimethylhexane 590-73-8 0.00% 0.00% 0.00%

1,1,3-Trimethylcyclopentane 4516-69-2 0.00% 0.00% 0.00%

2,4,4-Trimethyl-2-Pentene 107-40-4 0.00% 0.00% 0.00%

2,2,3-Trimethylpentane 564-02-3 0.60% 0.00% 0.43%

2,5-Dimethylhexane 592-13-2 0.00% 0.00% 0.00%

Ethylcyclopentane 1640-89-7 0.00% 0.00% 0.00%

2,4-Dimethylhexane 589-43-5 0.45% 0.00% 0.07%

1-Trans-2-Cis-4-Trimethylcyclopentane #N/A 0.00% 0.00% 0.00%

3,3-Dimethylhexane 563-16-6 0.00% 0.00% 0.00%

1-Trans-2-Cis-3-Trimethylcyclopentane 19374-46-0 0.00% 0.00% 0.00%

2,3,4-Trimethylpentane 565-75-3 1.11% 0.10% 0.33%

2,3,3-Trimethylpentane 560-21-4 1.02% 0.00% 0.44%

Toluene 108-88-3 6.41% 5.74% 6.18%

2,3-Dimethylhexane 584-94-1 0.04% 0.00% 0.06%

1,1,2-Trimethylcyclopentane 4259-00-1 0.00% 0.00% 0.00%

2-Methylheptane 592-27-8 0.00% 0.00% 0.31%

3,4-Dimethylhexane, Note B 583-48-2 0.01% 0.00% 0.00%

4-Methylheptane 589-53-7 0.00% 0.00% 0.00%

3-Methylheptane 589-81-1 0.00% 0.00% 0.06%

1-Cis,2-Trans,3-Trimethylcyclopentane #N/A 0.00% 0.00% 0.06%

Cis-1,3-Dimethylcyclohexane 638-04-0 0.00% 0.00% 0.00%

Trans-1,4-Dimethylcyclohexane 2207-04-7 0.00% 0.00% 0.00%
September 2008 

G:\EPA-WA1-09\Speciation_Report_93008 final exhaust.doc B-3 

Compound CAS Number E0 E10 E15 

3-Ethylhexane 619-99-8 0.00% 0.00% 0.00%

2,2,5-Trimethylhexane 3522-94-9 0.50% 0.00% 0.14%

Trans-1-Methyl-3-Ethylcyclopentane 2613-65-2 0.00% 0.00% 0.00%

Cis-1-Methyl-3-Ethylcyclopentane #N/A 0.00% 0.00% 0.00%

1,1-Dimethylcyclohexane 590-66-9 0.00% 0.00% 0.00%

Trans-1-Methyl-2-Ethylcyclopentane #N/A 0.00% 0.00% 0.00%

1-Methyl-1-Ethyl-Cyclopentane 16747-50-5 0.00% 0.00% 0.00%

2,4,4-Trimethylhexane 16747-30-1 0.00% 0.00% 0.00%

2,2,4-Trimethylhexane 16747-26-5 0.00% 0.00% 0.00%

Trans-1,2-Dimethylcyclohexane 6876-23-9 0.00% 0.00% 0.00%

1-Octene 111-66-0 0.00% 0.00% 0.00%

Trans-4-Octene 14850-23-8 0.00% 0.00% 0.00%

Octane 00111-65-9 0.00% 0.00% 0.71%

Unidentified C8 #N/A 0.00% 0.00% 0.00%

Trans-2-Octene 13389-42-9 0.00% 0.00% 0.00%

Trans-1,3-Dimethylcyclohexane, Note C 2207-03-6 0.00% 0.00% 0.00%

Cis-2-Octene 7642-04-8 0.00% 0.00% 0.00%

Isopropylcyclopentane 3875-51-2 0.00% 0.00% 0.00%

2,2-Dimethylheptane 1071-26-7 0.00% 0.00% 0.00%

2,3,5-Trimethylhexane 1069-53-0 0.04% 0.00% 0.00%

Cis-1-Methyl-2-Ethylcyclopentane 930-89-2 0.00% 0.00% 0.00%

2,4-Dimethylheptane 2213-23-2 0.30% 0.00% 0.00%

4,4-Dimethylheptane 1068-19-5 0.00% 0.00% 0.00%

Cis-1,2-Dimethylcyclohexane 2207-01-4 0.00% 0.00% 0.00%

Ethylcyclohexane 1678-91-7 0.01% 0.00% 0.14%

2,6-Dimethylheptane, Note D 1072-05-5 0.00% 0.00% 0.00%

1,1,3-Trimethylcyclohexane 3073-66-3 0.00% 0.00% 0.00%

2,5-Dimethylheptane, Note E 2216-30-0 0.00% 0.00% 0.00%

3,3-Dimethylheptane 4032-86-4 0.00% 0.00% 0.00%

3,5-Dimethylheptane, Note E 926-82-9 0.00% 0.00% 0.00%

Ethylbenzene 100-41-4 6.13% 1.79% 1.30%

2,3,4-Trimethylhexane 921-47-1 0.00% 0.00% 0.00%

2,3-Dimethylheptane 3074-71-3 0.00% 0.00% 0.00%

M-& P-XYLENE 1330-20-7 1.33% 5.88% 5.10%

4-Methyloctane 2216-34-4 0.00% 0.00% 0.00%

3,4-Dimethylheptane 922-28-1 0.00% 0.00% 0.00%

4-Ethylheptane 2216-32-2 0.00% 0.00% 0.00%

2-Methyloctane 3221-61-2 0.06% 0.00% 0.27%

3-Methyloctane 2216-33-3 0.04% 0.00% 0.00%

Styrene 100-42-5 0.75% 0.00% 0.14%

O-XYLENE 95-47-6 0.59% 0.60% 1.09%

1-Nonene 124-11-8 0.05% 0.00% 0.00%

Trans-3-Nonene 20063-92-7 0.01% 0.00% 0.00%

Cis-3-Nonene 20237-46-1 0.00% 0.00% 0.00%

Nonane 111-84-2 0.26% 0.00% 0.55%

Trans-2-Nonene 6434-78-2 0.00% 0.00% 0.00%

Isopropylbenzene (Cumene) 98-82-8 0.03% 0.00% 0.00%

2,2-Dimethyloctane 15869-87-1 0.04% 0.00% 0.00%

2,4-Dimethyloctane 4032-94-4 0.04% 0.00% 0.00%

N-PROPYLBENZENE 103-65-1 0.18% 0.00% 0.00%

1-Methyl-3-Ethylbenzene 620-14-4 1.02% 0.81% 1.16%

1-Methyl-4-Ethylbenzene 622-96-8 0.39% 0.69% 0.36%

1,3,5-Trimethylbenzene 108-67-8 0.55% 2.16% 0.37%

1-Methyl-2-Ethylbenzene 611-14-3 0.27% 0.15% 0.41%

1,2,4-Trimethylbenzene 95-63-6 0.67% 2.45% 1.51%

Tert-Butylbenzene 98-06-6 0.00% 0.00% 0.00%
September 2008 

G:\EPA-WA1-09\Speciation_Report_93008 final exhaust.doc B-4 

Compound CAS Number E0 E10 E15 

1-Decene 872-05-9 0.00% 0.00% 0.00%

Decane, Note F 124-18-5 0.00% 0.00% 0.00%

Isobutylbenzene, Note F 538-93-2 0.00% 0.00% 0.00%

1,3,-Dimethyl-5-Ethylbenzene 934-74-7 0.00% 0.00% 0.00%

METHYLPROPYLBENZENE (Sec Butylbenzene) 68411-44-9 0.00% 0.00% 0.00%

1-Methyl-3-Isopropylbenzene 535-77-3 0.01% 0.00% 0.00%

1,2,3-Trimethylbenzene 526-73-8 0.09% 0.00% 0.40%

1-Methyl-4-Isopropylbenzene 99-87-6 0.00% 0.00% 0.00%

Indan 496-11-7 0.00% 0.00% 0.00%

1-Methyl-2-Isopropylbenzene 527-84-4 0.04% 0.41% 0.00%

1,3-Diethylbenzene 141-93-5 0.00% 0.00% 0.00%

1,4-Diethylbenzene 105-05-5 0.02% 0.00% 0.00%

1-Methyl-3-N-Propylbenzene 1074-43-7 0.00% 0.41% 0.00%

1-Methyl-4-N-Propylbenzene, Note G 1074-55-1 0.00% 0.00% 0.00%

1,2 Diethylbenzene 135-01-3 0.00% 0.00% 0.00%

1-Methyl-2-N-Propylbenzene 1074-17-5 0.00% 0.00% 0.00%

1,4-Dimethyl-2-Ethylbenzene 1758-88-9 0.00% 0.00% 0.00%

1,3-Dimethyl-4-Ethylbenzene 874-41-9 0.00% 0.00% 0.00%

1,2-Dimethyl-4-Ethylbenzene 934-80-5 0.00% 0.00% 0.00%

1,3-Dimethyl-2-Ethylbenzene 2870-04-4 0.00% 0.00% 0.00%

Undecane 1120-21-4 0.00% 0.00% 0.00%

1,2-Dimethyl-3-Ethylbenzene 933-98-2 0.00% 0.00% 0.00%

1,2,4,5-Tetramethylbenzene 95-93-2 0.00% 0.00% 0.00%

2-METHYLBUTYLBENZENE (Sec AMYLBENZENE) 538-68-1 0.00% 0.00% 0.00%

3,4 Dimethylcumene #N/A 0.00% 0.00% 0.00%

1,2,3,5-Tetramethylbenzene 527-53-7 0.00% 0.00% 0.00%

Tert-1-But-2-Methylbenzene #N/A 0.00% 0.00% 0.00%

1,2,3,4-Tetramethylbenzene 488-23-3 0.00% 0.00% 0.00%

N-Pent-Benzene #N/A 0.00% 0.00% 0.00%

Tert-1-But-3,5-Dimethylbenzene #N/A 0.00% 0.00% 0.00%

Tert-1-Butyl-4-Ethylbenzene #N/A 0.00% 0.00% 0.00%

Naphthalene 91-20-3 0.00% 0.00% 0.00%

Dodecane 112-40-3 0.00% 0.00% 0.00%

1,3,5-Triethylbenzene 102-25-0 0.00% 0.00% 0.00%

1,2,4-Triethylbenzene 877-44-1 0.00% 0.00% 0.00%

Hexylbenzene 1077-16-3 0.00% 0.00% 0.00%

Unidentified C9-C12+ #N/A 0.24% 2.31% 1.18%

Formaldehyde 50-00-0 1.49% 1.45% 1.06%

Acetaldehyde 75-07-0 0.54% 1.78% 2.01%

Acrolein 107-02-8 0.13% 0.11% 0.07%

Acetone 67-64-1 0.44% 0.37% 0.47%

Propionaldehyde 123-38-6 0.13% 0.07% 0.04%

Crotonaldehyde 4170-30-3 0.05% 0.00% 0.00%

Isobutyraldehyde 78-84-2 0.01% 0.01% 0.01%

Mek 78-93-3 0.01% 0.01% 0.01%

Benzaldehyde 100-52-7 0.35% 0.22% 0.10%

Isovaleraldehyde 590-86-3 0.07% 0.00% 0.00%

Valeraldehyde 110-62-3 0.14% 0.03% 0.03%

O-Tolualdehyde 529-20-4 0.03% 0.02% 0.04%

M/P-Tolualdehyde #N/A 0.06% 0.03% 0.05%

Hexanaldehyde #N/A 0.05% 0.02% 0.01%

Dimethylbenzaldehyde #N/A 0.02% 0.00% 0.05%

Methanol 67-56-1 1.14% 1.20% 0.00%

Ethanol 64-17-5 0.38% 4.39% 4.59%

2-Propanol 67-63-0 0.83% 1.05% 0.00%

1-Propanol 71-23-8 0.00% 0.00% 0.00%
September 2008 

G:\EPA-WA1-09\Speciation_Report_93008 final exhaust.doc B-5 

Table B-2. Cold start exhaust profiles. 

Compound CAS Number E0 E10 E15 

Methane 74-82-8 18.39% 22.36% 21.13% 

Ethane 74-84-0 2.71% 3.08% 3.08% 

Ethylene 74-85-1 9.47% 10.14% 10.09% 

Propane 74-98-6 0.13% 0.10% 0.00% 

Propylene 115-07-1 3.77% 4.18% 3.87% 

Acetylene 74-86-2 1.30% 1.78% 1.46% 

Butane 106-97-8 3.69% 4.16% 2.70% 

Trans-2-Butene 624-64-6 0.43% 0.10% 0.13% 

1-Butene 106-98-9 0.63% 0.39% 0.36% 

2-Methylpropene (Isobutylene) 115-11-7 1.53% 2.07% 1.99% 

1,3-Butadiene 106-99-0 1.02% 0.74% 0.13% 

Cis-2-Butene 590-18-1 0.31% 0.00% 0.09% 

2-Methylbutane (Isopentane) 78-78-4 2.16% 0.64% 8.25% 

Pentane 109-66-0 0.50% 0.00% 0.82% 

2-Methyl-1,3-Butadiene 78-79-5 0.15% 0.00% 0.75% 

Trans-2-Pentene 646-04-8 0.21% 0.00% 0.15% 

Cis-2-Pentene 627-20-3 0.12% 0.00% 0.30% 

2-Methyl-2-Butene 513-35-9 0.45% 0.00% 0.00% 

Cyclopentadiene 542-92-7 0.20% 0.00% 0.00% 

2,2-Dimethylbutane 75-83-2 0.01% 0.00% 0.00% 

Cyclopentene 142-29-0 0.11% 0.00% 0.00% 

Cyclopentane 287-92-3 0.06% 0.00% 0.00% 

2,3-Dimethylbutane 79-29-8 0.54% 0.00% 0.00% 

2-Methylpentane 107-83-5 0.96% 1.09% 0.75% 

3-Methylpentane 96-14-0 0.63% 1.14% 0.35% 

2-Methyl-1-Pentene 763-29-1 0.00% 0.09% 0.11% 

1-Hexene 592-41-6 0.00% 0.09% 0.11% 

Hexane 110-54-3 0.25% 3.45% 1.01% 

Unidentified C6 #N/A 0.11% 0.00% 0.00% 

Trans-2-Hexene 4050-45-7 0.07% 0.00% 0.00% 

3-Methyl-Trans-2-Pentene 616-12-6 0.09% 0.00% 0.00% 

2-Methyl-2-Pentene 625-27-4 0.06% 0.00% 0.00% 

3-Methyl-Cis-2-Pentene 922-62-3 0.15% 0.00% 0.00% 

2,2-Dimethylpentane, Note A 590-35-2 0.14% 0.05% 0.00% 

Methylcyclopentane, Note A 96-37-7 0.13% 0.05% 0.00% 

2,4-Dimethylpentane 108-08-7 0.41% 0.00% 0.00% 

2,2,3-Trimethylbutane 464-06-2 0.01% 0.00% 0.00% 

1-Methylcyclopentene 693-89-0 0.03% 0.00% 0.00% 

Benzene 71-43-2 5.67% 4.38% 4.14% 

Cyclohexane 110-82-7 9.78% 5.84% 0.95% 

2-Methylhexane 591-76-4 0.05% 0.00% 0.58% 

2,3-Dimethylpentane 565-59-3 0.25% 0.34% 0.00% 

Cyclohexene 110-83-8 0.24% 0.00% 0.00% 

3-Methylhexane 589-34-4 0.10% 0.00% 0.19% 

2,2,4-Trimethylpentane 540-84-1 3.39% 1.54% 2.16% 

Heptane 142-82-5 0.03% 0.00% 1.03% 

Unidentified C7 #N/A 0.04% 0.00% 0.00% 

2,4,4-Trimethyl-1-Pentene 107-39-1 0.00% 0.00% 0.52% 

Methylcyclohexane 108-87-2 0.00% 0.19% 1.51% 

2,2,3-Trimethylpentane 564-02-3 0.60% 0.00% 0.43% 

2,4-Dimethylhexane 589-43-5 0.45% 0.00% 0.07% 

2,3,4-Trimethylpentane 565-75-3 1.11% 0.09% 0.33% 

2,3,3-Trimethylpentane 560-21-4 1.02% 0.00% 0.44% 

Toluene 108-88-3 6.36% 5.94% 6.18% 

2,3-Dimethylhexane 584-94-1 0.03% 0.00% 0.06% 
September 2008 

G:\EPA-WA1-09\Speciation_Report_93008 final exhaust.doc B-6 

Compound CAS Number E0 E10 E15 

2-Methylheptane 592-27-8 0.00% 0.00% 0.31% 

3,4-Dimethylhexane, Note B 583-48-2 0.01% 0.00% 0.00% 

3-Methylheptane 589-81-1 0.00% 0.00% 0.06% 

1-Cis,2-Trans,3-Trimethylcyclopentane #N/A 0.00% 0.00% 0.06% 

2,2,5-Trimethylhexane 3522-94-9 0.49% 0.00% 0.14% 

Octane 00111-65-9 0.00% 0.00% 0.71% 

2,3,5-Trimethylhexane 1069-53-0 0.04% 0.00% 0.00% 

2,4-Dimethylheptane 2213-23-2 0.31% 0.00% 0.00% 

Ethylcyclohexane 1678-91-7 0.01% 0.00% 0.14% 

Ethylbenzene 100-41-4 6.10% 1.82% 1.30% 

2,3-Dimethylheptane 3074-71-3 0.00% 0.00% 0.00% 

M-& P-XYLENE 1330-20-7 1.33% 6.08% 5.10% 

2-Methyloctane 3221-61-2 0.06% 0.00% 0.27% 

3-Methyloctane 2216-33-3 0.04% 0.00% 0.00% 

Styrene 100-42-5 0.74% 0.00% 0.14% 

O-XYLENE 95-47-6 0.59% 0.58% 1.09% 

1-Nonene 124-11-8 0.06% 0.00% 0.00% 

Trans-3-Nonene 20063-92-7 0.01% 0.00% 0.00% 

Nonane 111-84-2 0.26% 0.00% 0.55% 

Isopropylbenzene (Cumene) 98-82-8 0.03% 0.00% 0.00% 

2,2-Dimethyloctane 15869-87-1 0.04% 0.00% 0.00% 

2,4-Dimethyloctane 4032-94-4 0.04% 0.00% 0.00% 

N-PROPYLBENZENE 103-65-1 0.18% 0.00% 0.00% 

1-Methyl-3-Ethylbenzene 620-14-4 1.02% 0.77% 1.16% 

1-Methyl-4-Ethylbenzene 622-96-8 0.39% 0.66% 0.36% 

1,3,5-Trimethylbenzene 108-67-8 0.56% 2.15% 0.37% 

1-Methyl-2-Ethylbenzene 611-14-3 0.28% 0.18% 0.41% 

1,2,4-Trimethylbenzene 95-63-6 0.68% 2.52% 1.51% 

1-Methyl-3-Isopropylbenzene 535-77-3 0.01% 0.00% 0.00% 

1,2,3-Trimethylbenzene 526-73-8 0.09% 0.00% 0.40% 

1-Methyl-2-Isopropylbenzene 527-84-4 0.04% 0.39% 0.00% 

1,4-Diethylbenzene 105-05-5 0.02% 0.00% 0.00% 

1-Methyl-3-N-Propylbenzene 1074-43-7 0.00% 0.39% 0.00% 

Unidentified C9-C12+ #N/A 0.25% 2.33% 1.18% 

Formaldehyde 50-00-0 0.89% 0.85% 1.06% 

Acetaldehyde 75-07-0 0.38% 1.44% 2.01% 

Acrolein 107-02-8 0.07% 0.06% 0.07% 

Acetone 67-64-1 0.35% 0.34% 0.47% 

Propionaldehyde 123-38-6 0.12% 0.05% 0.04% 

Crotonaldehyde 4170-30-3 0.02% 0.00% 0.00% 

Isobutyraldehyde 78-84-2 0.01% 0.01% 0.01% 

Mek 78-93-3 0.01% 0.01% 0.01% 

Benzaldehyde 100-52-7 0.26% 0.16% 0.10% 

Isovaleraldehyde 590-86-3 0.06% 0.00% 0.00% 

Valeraldehyde 110-62-3 0.09% 0.05% 0.03% 

O-Tolualdehyde 529-20-4 0.05% 0.02% 0.04% 

M/P-Tolualdehyde #N/A 0.06% 0.04% 0.05% 

Hexanaldehyde #N/A 0.06% 0.03% 0.01% 

Dimethylbenzaldehyde #N/A 0.02% 0.00% 0.05% 

Methanol 67-56-1 1.69% 0.42% 0.00% 

Ethanol 64-17-5 0.81% 3.94% 4.59% 

2-Propanol 67-63-0 1.35% 0.67% 0.00%