ENVIRON International Corporation 

Emission Profiles for EPA SPECIATE Database 

EPA Contract No. EP-C-06-094 

Work Assignment No. 1-7 

Prepared for:

U.S. Environmental Protection Agency 

Prepared by:

Chris E. Lindhjem 

ENVIRON International Corporation 

773 San Marin Drive, Suite 2115 

Novato, CA 94998 

January 31, 2008 

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

G:\EPA\Speciation_Report_01_31_08.doc i 

TABLE OF CONTENTS 

Page 

1. INTRODUCTION....................................................................................................................1 

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

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

 

2. 2.0 DATA COMPILATION....................................................................................................2 

2.1 Emissions Studies Used .......................................................................................................2 

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

2.3 Average Profiles...................................................................................................................3 

APPENDICES 

Appendix A: Quality Assurance Project Plan 

Appendix B: Speciation Results 

TABLES 

Table 2-1. Emission profiles used in this study ..............................................................................2

 
January 2008 

G:\EPA\Speciation_Report_01_31_08.doc 1 

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. 

The volume of gasoline displaced by renewable fuels is projected to climb considerably over the 

next ten years. The Federal government has promulgated rules to increase the total volume of 

renewable fuels to 35 billion gallons by 2020. Most of that increase is likely to be from ethanol 

derived from agriculture. Furthermore, where ethanol has traditionally been blended in with 

gasoline up to 10 volume % (El0), it is likely that more will be blended at 85 volume % (E85) for 

vehicles capable of consuming it. Because of this, EPA needs to more accurately identify the 

speciation of hydrocarbon emissions from use of these fuels in gasoline-fueled engines and onroad 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 used to distribute 

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

1.2 Project Objectives 

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

carbon (VOC) exhaust and evaporative emissions data where the test fuels contain ethanol at 

nominally 0% volume (E0), E10, and E85, 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. 
January 2008 

G:\EPA\Speciation_Report_01_31_08.doc 2 

2.0 DATA COMPILATION 

2.1 Emissions Studies Used 

A number of different studies were considered for this study. The data studies considered are 

listed here. 

1) Coordinating Research Council (CRC) E-67 Study 

2) EPA Office of Research and Development (ORD) Testing of Light-Duty Vehicles on 

Ethanol Gasoline Blends 

3) EPA Office of Transportation and Air Quality Division (OTAQ) Testing of Light-Duty 

Vehicles 

4) EPA contracted, Southwest Research Institute, “Flex Fuel Vehicles (FFVs) VOC/PM 

Cold Temperature Characterization When Operating on Ethanol (E10, E70, E85)” 

5) Comparison of Emissions of Conventional and Flexible Fuel Vehicles Operating on 

Gasoline and E85 Fuels; ERM Report # 05-39, ENVIRONMENTAL TECHNOLOGY 

CENTRE, EMISSIONS RESEARCH AND MEASUREMENT DIVISION. Environment 

Canada 

6) Auto/Oil Emissions Research (relevant CRC studies) 

Upon review of each of these studies, based on representative of the fuels or vehicles, the studies 

provided in Table 2-1 were used to compile the average chemical composition. Other studies 

used older or specially designed vehicles and fuels unrepresentative of emissions from real world 

fuels and vehicles. 

Table 2-1. Emission profiles used in this study. 

Emission Profile E0 E10 E85 

Exhaust EPA-OTAQ Testing of 

Light-duty vehicles 

adjusted EPA-OTAQ 

Testing of Light-duty 

vehicles 

adjusted EPA-ORD 

Testing of Light-duty 

vehicles on Ethanol 

Gasoline Blends 

Evaporative Auto\Oil Emissions 

Research 

Auto\Oil Emissions 

Research 

Auto\Oil Emissions 

Research 

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. Uncalibrated and therefore 

unknown species were ignored because these were a small portion of the total hydrocarbon 

emissions and could not be uniquely identified. So the known compounds were renormalized to 

sum to 100%. 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. 
January 2008 

G:\EPA\Speciation_Report_01_31_08.doc 3 

2.2.1 Exhaust Emissions with Average Gasoline without Ethanol and with 10% and 85% 

Ethanol 

Exhaust profiles for industrial average gasoline (E0) were obtained from Kansas City PM 

Characterization study referred to in this report as EPA-OTAQ Testing of Light-duty vehicles. 

The profile data were provided in two Excel sheets (i.e. speciated data v1m.xls and speciated 

data v2e.xls) in the EPA’s 09_11_2007 deliverable disk. The study was conducted in 2 rounds. 

Different vehicles were tested in both rounds. The first round of study was performed in summer 

and the second round of study was performed in winter. The study included both light-duty 

trucks and cars. 

EPA did not direct ENVIRON to use the E10 profile data from this study. EPA directed 

ENVIRON to use the E10 profile that EPA derived from the E0 profile using the relative impact 

on aromatic compounds and accounting for the additional compounds associated with ethanol 

contribution, such as unburned ethanol and acetaldehyde. 

The present exhaust speciation profiles used by EPA for E0 and E10 were performed in the 1990 

time frame when the large auto/oil and other test programs were run. Since that time, both 

automotive technology and fuel characteristics have changed significantly. The cooperative test 

program conducted in Kansas City in the 2004 time frame included tests on almost 500 vehicles 

using gasoline sold in the Kansas City area which under those conditions contained relatively 

little ethanol. Detailed volatile organic compound (VOC) speciation was run on a subset of 

about 50 of those vehicles. These data provide the exhaust speciation profiles for E0. The 

exhaust speciation profile for E10 comes from EPA ORD (Office of Research and Development) 

data collected about 1995. Data for the exhaust from use of E85 comes from a similar EPA 

ORD test program. 

The profile for E0 shows an exhaust composition of 32% aromatics hydrocarbons, 20% olefins, 

40% paraffins, 3.5% aldehydes, and some other compounds classes (dienes and dynes). The data 

from the EPA ORD test program, by contrast, resulted in only 5% olefin and also lower 

aldehydes (about 2.6% of VOC) and aromatic levels of 24% with higher paraffins of 47% of 

VOC. The greatly differing exhaust profile for the EPA ORD test program is more probably a 

function of advances in analytic techniques and fuel parameters not typical of today’s fuels (and 

certainly not representing technology used on current vehicles such as those meeting the Tier 2 

exhaust standards) and/or inconsistent fuel components. 

However, comprehensive emission tests exist for E0 and E10 measuring specific “air toxic” 

compounds such as benzene, butadiene, formaldehyde, acetaldehyde, and acrolein in exhaust. 

Data from these studies have been incorporated into EPA’s emission model, MOBILE6. 

Although these data are from older vehicles, they were collected from extensive testing on 

combinations of fuels and vehicles. EPA also wanted to make the speciation profiles consistent 

with MOBILE6. Thus, EPA substituted the overall percent for these compounds of exhaust 

VOC for E0 and E10 across U. S. counties in the exhaust profiles. These substitutions result in 

two modified E0 profiles, one with the “air toxic” compounds associated with E0 and another 

with the “air toxic” compounds associated with E10. Similar data exist for an EPA test program 

using E85 and were substituted into the E85 profile. After these substitutions of the E0 and E85 

profiles, the percent fractions for the remaining compounds were renormalized so that the total of 

all compounds was still 100%. 
January 2008 

G:\EPA\Speciation_Report_01_31_08.doc 4 

EPA then further developed the E10 profile from the adjusted E10 profile with the modified 

fractions for “air toxic” compounds added. Because the gasoline contains 10% ethanol, EPA 

estimated that aromatic emissions would be reduced by 10% because of dilution resulting in a 

further modified E10 profile. Then, the remaining compounds such as the olefins and paraffins 

were renormalized so that the total of all the compounds equaled 100%. 

The exhaust profile for E85 was obtained from the ORD data (noted by the principle investigator, 

Frank Black). Here EPA fixed the toxic component percentages (1,3 butadiene, acetaldehyde, 

acrolein, benzene, and formaldehyde) and adjusted the remaining profile according 

2.2.2 Evaporative Emissions with Average Gasoline without Ethanol and with 10% and 

85% Ethanol 

Evaporative emissions profiles for E0, E10, and E85 fuels were obtained from the Auto/Oil 

study. The profiles include an average of individual test points for diurnal, hot soak, and running 

loss testing for 0% ethanol gasoline (Fuel A in the Auto\Oil study), 10% ethanol gasoline (Fuel 

T), and hot soak for 85% ethanol gasoline compositions. 

2.3 Average Profiles 

The final average profiles are provided in Appendix B. 
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” 

EPA Contract No. EP-C-06-094 

Work Assignment No. 0-7 

Prepared for:

U.S. Environmental Protection Agency 

Prepared by:

Chris E. Lindhjem 

ENVIRON International Corporation 

773 San Marin Drive, Suite 2115 

Novato, CA 94998 

January 31, 2008 
January 2008 

TITLE AND APPROVAL PAGE 

Site Name/Project Name: Emission Profiles for EPA SPECIATE Database 

Title: Emission Profiles for EPA SPECIATE Database 

Site Location: Not applicable Revision Number: 0 

Revision Date: 09/29/2007 

Quality Assurance Project Plan for Emission Profiles for EPA SPECIATE Database

Document Title 

ENVIRON International Corporation

Lead Organization (Agency, State, Tribe, Federal Facility, PRP, or Grantee) 

Chris Lindhjem, ENVIRON

Preparer’s Name and Organizational Affiliation 

Novato, California 

Preparer’s Address and Telephone Number 

29, September, 2007

Preparation Date (Day/Month/Year) 

Investigative Organization’s Project Manager: _

Signature 

Chris Lindhjem, ENVIRON September 28, 2007 _ 

Printed Name/Organization/Date 

Investigative Organization’s Project QA Officer: _

Signature 

Alison Pollack, ENVIRON September 28, 2007 _

Printed Name/Organization/Date 

Lead Organization’s Program Manager: _

Signature 

Lou Browning, ICF International, September 28, 2007 _

Printed Name/Organization/Date 

Approval Signatures: _

Signature 

__________________________________________________________ 

Printed Name/Title/Date 

U.S. EPA _

Approval Authority 

Other Approval Signatures: _

Signature 

 _______________________________________ 

Printed Name/Title/Date 

Document Control Number: 
January 2008 

G:\EPA\Speciation_Report_01_31_08.doc i

TABLE OF CONTENTS 

Page 

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

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

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

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

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

 1.5 Responsibilities of Project Participants ...............................................................................3 

2.0 SOURCES OF SECONDARY DATA ...................................................................................3 

2.1 Sources of Secondary Data Used.........................................................................................3 

2.2 Rationale for Selecting Data Sources ..................................................................................3 

2.3 Identify Sources of Secondary Data in all Deliverables ......................................................3 

3.0 QUALITY OF SECONDARY DATA....................................................................................4 

3.1 Quality Requirements of Secondary Data............................................................................4 

3.2 QA Procedures.....................................................................................................................4 

3.3 Data Representativeness ......................................................................................................5 

4.0 DATA REPORTING, DATA REDUCTION, AND DATA VALIDATION ......................6 

4.1 Data Reduction Procedures..................................................................................................6 

4.2 Data Validation Procedures .................................................................................................6 

 4.3 Expected Product Document................................................................................................6 
January 2008 

1 

1.0 PROJECT OBJECTIVES, ORGANIZATION, AND RESPONSIBILITIES

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. 

The volume of gasoline displaced by renewable fuels is projected to climb considerably over the 

next ten years. The Federal government has promulgated rules to increase the total volume of 

renewable fuels to 35 billion gallons by 2020. Most of that increase is likely to be from ethanol 

derived from agriculture. Furthermore, where ethanol has traditionally been blended in with 

gasoline up to 10 volume % (El0), it is likely that more will be blended at 85 volume % (E85) for 

vehicles capable of consuming it. Because of this, EPA needs to more accurately identify the 

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

1.2 Project Objectives 

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

carbon (VOC) exhaust and evaporative emissions data where the test fuels contain ethanol at 

nominally 0% volume (E0), E10, and E85, 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. 

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. In addition, the 

data itself had to contain the measurements of most of the compounds found in gasoline vehicle 

exhaust and evaporative emissions as well as the total VOC, total organic gas (TOG), or total 

hydrocarbon (THC) that are normally collected when measuring criteria pollutants. The 

measurement of criteria pollutants can be used to determine the portion of unidentified 

compounds of the chemical composition, by comparing the total measured quantity of individual 

compounds to the total measured amount of all hydrocarbons. However, because the 

measurement method of THC is significantly different than that for individual species, this 

comparison is highly uncertain and not useful for this study. 
January 2008 

2 

• TOG is the most general measurement incorporating all organic species and often uses 

three separate measurements using gas and liquid chromatography techniques to measure 

independently hydrocarbons, aldehydes, and alcohols. 

• VOC is TOG without methane, ethane, and acetone (along with other compounds not 

found in mobile source emissions). 

• THC is the most common measurement of hydrocarbons. This method uses a flame 

ionization detector that measures hydrocarbon species for carbon bound to hydrogen and 

partially responds to compounds with carbon-oxygen bonds as in aldehydes, alcohols, 

and ketones. Any qualifying chemical composition study will include distinct 

measurements of these oxygenated organic compounds, so THC can be converted to 

TOG or VOC and vice versa. 

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, 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 

Tejas Shah Computer programmer/data analyst/chemist 

Alison Pollack Statistics consultant 

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

profiles developed under this work assignment. 
January 2008 

3 

2.0 SOURCES OF SECONDARY DATA 

2.1 Sources of Secondary Data Used 

The data sources that were reviewed in the study are listed below. A literature review was 

conducted to determine if other data sources should be added to this list. 

1) Coordinating Research Council (CRC) E-67 Study 

2) EPA Office of Research and Development (ORD) Testing of Light-Duty Vehicles on 

Ethanol Gasoline Blends 

3) EPA Office of Transportation and Air Quality Division (OTAQ) Testing of Light-Duty 

Vehicles 

4) EPA contracted, Southwest Research Institute, Flex Fuel Vehicles (FFVs) VOC/PM Cold 

Temperature Characterization When Operating on Ethanol (E10, E70, E85)” 

5) Comparison of Emissions of Conventional and Flexible Fuel Vehicles Operating on 

Gasoline and E85 Fuels; ERM Report # 05-39, ENVIRONMENTAL TECHNOLOGY 

CENTRE, EMISSIONS RESEARCH AND MEASUREMENT DIVISION. Environment 

Canada 

6) Auto/Oil Emissions Research (relevant CRC studies) 

The EPA ORD, EPA OTAQ, and Auto/Oil testing were the primary sources of data. Other 

sources were considered but rejected after careful scrutiny of the data representativeness and 

disapproval by EPA. 

2.2 Rationale for Selecting Data Sources 

The test data was selected by EPA and those studies included represent the literature review the 

most recent relevant studies conducted for ethanol based fuels and late model vehicles. It was a 

requirement that more recent vehicles be used to better forecast the emissions impact of real 

world vehicle fleets. The use of these studies was to forecast the changes in emissions of 

individual compounds in the future with wider use of ethanol blended gasoline products. 

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. 
January 2008 

4 

3.0 QUALITY OF SECONDARY DATA 

3.1 Quality Requirements of Secondary Data 

The secondary data had to meet a number of requirements and had to include sufficient data to 

evaluate those requirements prior to its use. These standards are outlined in more detail under 

the QA procedures, but in general the study had to 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. Are the fuels representative? 

a. ENVIRON reviewed the data to determine if the fuels used in the particular study 

have been produced in a manner that produced some artifacts and provided EPA 

raw data and examples of data deemed ineligible. For instance, some studies used 

unusual fuels to test the impact of fuel parameters by accentuating certain 

characteristics that may bias the chemical composition of the emissions. 

b. Fuels were grouped according to relevant model years and gasoline without 

ethanol (E0), ethanol blended to 10% by volume (E10), and 85% ethanol (E85) 

using the flexible fuel vehicles. 

2. Are the vehicles representative? 

a. ENVIRON identified the data by vehicle model year to allow demonstration of 

the effect on chemical composition (speciation) that occur in vehicles with 

different design and maintenance levels. 

b. The significance of model years was considered such as between Tier 0 (model 

years 1996 and earlier), Tier 1 (1996 – 2004), and 2005 and later vehicles, but the 

most recent vehicle models were used in this study. 

3. Was the emission testing conducted properly? 

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

Regulations (CFR) approach. 

b. The test cycle must be the composite EPA Federal Test Procedure. 

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 remaining studies represented the fuels and vehicles well and had 

conducted the testing properly, ENVIRON downloaded and collocated the individual data results 

by fuel and vehicle into a series of chemical composition profiles to compare with one another. 

Steps in preparing the data include the following: 
January 2008 

5 

1. Identify individual test data with chemical composition by the study reference, vehicle 

(make, model, and model year), test type (FTP composite), and other pertinent 

information. 

2. Chemical composition with associated Chemical Abstract System (CAS) identification. 

The chemical composition list was formatted so individual data from one test to another 

and one study to another could be compared. 

3. Total organic gas was included as a method to identify in each test result. 

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 a 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. 

3.3 Data Representativeness 

As described in the QA procedures, the data must at a minimum have used modern gasoline 

vehicles using in-use gasoline and in-use gasoline blends with ethanol. 
January 2008 

6 

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 use late model 

vehicles and 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 is 

looking 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 made sense. 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 value 

and standard deviation 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. Uncalibrated and therefore unknown species were ignored because these 

were a small portion of the total hydrocarbon emissions and could not be uniquely identified. So 

the known compounds were renormalized to sum to 100%. 

4.3 Expected 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. 
1 

APPENDIX B. 

Speciation Results 
2 

Table B-1. Exhaust emissions for E0 and E10. 

Chemical Compound CAS NumberSPECIE_IDSPECIATE4 Specie Name - QA E0 Weight PercentE10 Weight Percent

11DMeCyHexane 590-66-9 19 1,1-dimethylcyclohexane 0.051% 0.052% 

1234tetraMeBenzene 488-23-3 22 1,2,3,4-tetramethylbenzene 0.121% 0.109% 

1235tetraMeBenzene 527-53-7 23 1,2,3,5-tetramethylbenzene 0.198% 0.178% 

123TriMeBenzene 526-73-8 25 1,2,3-trimethylbenzene 0.265% 0.238% 

1245tetraMeBenzene 95-93-2 28 1,2,4,5-tetramethylbenzene 0.151% 0.136% 

124TriMeBenzene 95-63-6 30 

1,2,4-trimethylbenzene 

(1,3,4-trimethylbenzene) 1.478% 1.331% 

12diethylbenzene 135-01-3 36 1,2-diethylbenzene (ortho) 0.067% 0.061% 

135TriMeBenzene 108-67-8 44 1,3,5-trimethylbenzene 0.802% 0.722% 

13diethylbenzene 141-93-5 51 1,3-diethylbenzene (meta) 0.365% 0.329% 

14diethylbenzene 105-05-5 59 1,4-diethylbenzene (para) 0.087% 0.078% 

1Butene+iButylene 

106-98-9, 

115-11-8 1093 1-butene + isobutene 2.109% 2.140% 

1-Heptene 592-76-7 76 1-heptene 0.036% 0.036% 

1-Hexene 592-41-6 78 1-hexene 0.138% 0.140% 

1-Pentene 109-67-1 108 1-pentene 0.362% 0.367% 

2,4-DiMePentane 108-08-7 152 2,4-dimethylpentane 0.815% 0.827% 

1,3 butadiene (estimated) 106-99-0 46 1,3-butadiene 0.536% 0.521% 

223TriMeButane 464-06-2 112 2,2,3-trimethylbutane 0.028% 0.029% 

224TrMePentane 540-84-1 118 2,2,4-trimethylpentane 1.823% 1.849% 

225TMHexane 3522-94-9 121 2,2,5-trimethylhexane 0.391% 0.397% 

22DiMeButane 75-83-2 122 2,2-dimethylbutane 0.463% 0.470% 

234TrMePentane 565-75-3 130 2,3,4-trimethylpentane 0.761% 0.772% 

23DiMeButane 79-29-8 136 2,3-dimethylbutane 0.794% 0.806% 

23DiMeHexane 584-94-1 138 2,3-dimethylhexane 0.289% 0.293% 

23DiMePentane 565-59-3 140 2,3-dimethylpentane 1.195% 1.212% 

244TMe-1-Pentene 107-39-1 141 2,4,4-trimethyl-1-pentene 0.032% 0.032% 

24DiMeHeptane 2213-23-2 148 2,4-dimethylheptane 0.068% 0.069% 

24DiMeHexane 589-43-5 149 2,4-dimethylhexane 0.594% 0.602% 

25DiMeHeptane 216-30-0 155 2,5-dimethylheptane 0.170% 0.173% 

25DiMeHexane 592-13-2 156 2,5-dimethylhexane 0.392% 0.398% 

26DiMeOctane 2051-30-1 162 2,6-dimethyloctane 0.059% 0.060% 

2-ipropyltoluene 527-84-4 81 1-Methyl-2-isopropylbenzene 0.020% 0.018% 

2-Me-1-Butene 563-46-2 181 2-methyl-1-butene 1.505% 1.526% 

2-Me-1-Pentene 763-29-1 184 2-methyl-1-pentene 0.108% 0.109% 

2-Me-2-Butene 513-35-9 185 2-methyl-2-butene 0.369% 0.374% 

2-Me-2-Pentene 625-27-4 187 2-methyl-2-pentene 0.090% 0.091% 

2MeHeptane 592-27-8 193 2-methylheptane 0.491% 0.499% 

2MeHexane 591-76-4 194 2-methylhexane 1.216% 1.234% 

2MeOctane 3221-61-2 198 2-methyloctane 0.227% 0.230% 

2-MePentane 107-83-5 199 2-methylpentane 2.028% 2.058% 

2-propylToluene 28729-54-6 1161 Propyltoluene 0.132% 0.119% 

33DiMeHeptane 4032-86-4 205 3,3-dimethylheptane 0.042% 0.042% 

3EtPentane 617-78-7 229 3-ethylpentane 0.242% 0.246% 

3-ipropyltoluene 535-77-3 90 1-Methyl-3-isopropylbenzene 0.074% 0.066% 

3-Me-1-Butene 563-45-1 230 3-methyl-1-butene 5.940% 6.026% 

3MeHeptane 589-81-1 244 3-methylheptane 0.637% 0.646% 

3MeHexane 589-34-4 245 3-methylhexane 0.840% 0.852% 

3MeOctane 2216-33-3 247 3-methyloctane 0.273% 0.277% 

3-MePentane 96-14-0 248 3-methylpentane 1.641% 1.665% 

4-ipropyltoluene 99-87-6 97 1-Methyl-4-isopropylbenzene 0.023% 0.021% 

4MeHeptane 589-53-7 264 4-methylheptane 0.256% 0.260% 

4MeHexene 3769-23-1 257 4-methyl-1-hexene 0.029% 0.030% 

acetaldehyde 75-07-0 279 Acetaldehyde 1.036% 1.270% 

acetone 67-64-1 281 Acetone 0.136% 0.138% 

Acetylene 74-86-2 282 Acetylene 3.007% 3.051% 

acrolein 107-02-8 283 Acrolein (2-propenal) 0.064% 0.064% 

benzaldehyde 100-52-7 301 Benzaldehyde 0.475% 0.427% 

Benzene 71-43-2 302 Benzene 4.369% 4.413% 

c-2-Butene 590-18-1 367 Cis-2-butene 0.125% 0.127% 

c-2-Hexene 7688-21-3 369 Cis-2-hexene 0.072% 0.073% 

c-2-Pentene 627-20-3 371 Cis-2-pentene 0.191% 0.194% 

c-3-Hexene 7642-09-3 372 Cis-3-hexene 0.021% 0.021% 

c-3-Me-2-Pentene 922-62-3 236 3-methyl-cis-2-pentene 0.085% 0.086% 

crotonaldehyde 4170-30-3 382 Crotonaldehyde 0.023% 0.023% 

CycloHexane 110-82-7 385 Cyclohexane 0.214% 0.217% 

Cyclohexene 110-83-8 388 Cyclohexene 0.032% 0.032% 

CycloPentane 287-92-3 390 Cyclopentane 0.196% 0.199% 

CycloPentene 142-29-0 391 Cyclopentene 0.110% 0.112% 

Ethane 74-84-0 438 Ethane 2.152% 2.183% 

Ethanol 64-17-5 442 Ethyl alcohol 1.575% 
3 

Chemical Compound CAS Number SPECIE_IDSPECIATE4 Specie Name - QA E0 Weight Percent E10 Weight Percent

EtBenzene 100-41-4 449 Ethylbenzene 2.147% 1.932% 

Ethylene 74-85-1 452 Ethylene 5.483% 5.562% 

formaldehyde 50-00-0 465 Formaldehyde 1.328% 1.357% 

glyoxal 107-22-2 839 Glyoxal 0.012% 0.012% 

hexanal 66-25-1 840 Hexaldehyde 0.049% 0.049% 

2,2,4-trimethylhexane 16747-26-5 117 2,2,4-trimethylhexane 0.103% 0.104% 

isoButane 75-28-5 491 Isobutane 0.303% 0.307% 

iButBenzene 538-93-2 3 (2-methylpropyl)benzene 0.050% 0.045% 

Indan 496-11-7 485 Indan 0.126% 0.128% 

isopentane 78-78-4 508 Isopentane 0.228% 0.232% 

iPropBenzene 98-82-8 514 Isopropylbenzene (cumene) 0.159% 0.143% 

iPropCyHexane 696-29-7 515 Isopropylcyclohexane 0.025% 0.026% 

m/p-xylene 

108-38-3, 

 106-42-3 522 M & p-xylene 5.621% 5.058% 

MeCyHexane 108-87-2 550 Methylcyclohexane 0.374% 0.379% 

MeCyPentane 96-37-7 551 Methylcyclopentane 0.952% 0.966% 

Methacrolein 78-85-3 188 2-methyl-2-propenal 0.058% 0.059% 

Methane 74-82-8 529 Methane 14.039% 14.241% 

methyl ethyl ketone 78-93-3 536 Methyl ethyl ketone (2-butanone) 0.095% 0.097% 

mEtToluene 620-14-4 89 1-Methyl-3-ethylbenzene 1.743% 1.569% 

MTBE 1634-04-4 548 Methyl t-butyl ether 0.028% 0.029% 

Naphthalene 91-20-3 611 Naphthalene 0.042% 0.038% 

n-Butane 106-97-8 592 N-butane 0.355% 0.360% 

n-butyraldehyde 123-72-8 313 Butyraldehyde 0.078% 0.079% 

n-Decane 124-18-5 598 N-decane 0.102% 0.103% 

n-Dodecane 112-40-3 599 N-dodecane 0.372% 0.377% 

n-Heptane 142-82-5 600 N-heptane 0.963% 0.976% 

n-Hexane 110-54-3 601 N-hexane 1.570% 1.593% 

n-Nonane 111-84-2 603 N-nonane 0.255% 0.259% 

n-Octane 111-65-9 604 N-octane 0.485% 0.492% 

Nonanal 124-19-6 1057 Nonanal 0.409% 0.415% 

Nonene-1 124-11-8 106 1-nonene 0.123% 0.125% 

n-Pentane 109-66-0 605 N-pentane 0.077% 0.078% 

nPropBenzene 103-65-1 608 N-propylbenzene 0.518% 0.466% 

n-Undecane 1120-21-4 610 N-undecane 0.132% 0.134% 

Octanal 124-13-0 1065 Octanal 0.031% 0.031% 

Octene-1 111-66-0 107 1-octene 0.027% 0.027% 

oEtToluene 611-14-3 80 1-Methyl-2-ethylbenzene 0.660% 0.594% 

o-xylene 95-47-6 620 O-xylene 2.193% 1.974% 

pEtToluene 622-96-8 94 1-Methyl-4-ethylbenzene 0.785% 0.707% 

propane 74-98-6 671 Propane 0.261% 0.265% 

propene 115-07-1 678 Propylene 3.697% 3.751% 

propionaldehyde 123-38-6 673 Propionaldehyde 0.086% 0.087% 

sButBenzene 135-98-8 1 (1-Methylpropyl)benzene 0.051% 0.046% 

Styrene+heptanal 

100-42-5, 

111-71-7 698 Styrene 0.108% 0.097% 

tolualdehyde 1334-78-7 2164 Methylbenzaldehyde 0.050% 0.045% 

Toluene 108-88-3 717 Toluene 9.619% 8.657% 

t-2-Butene 624-64-6 737 Trans-2-butene 0.276% 0.280% 

t-2-Hexene 4050-45-7 740 Trans-2-hexene 0.127% 0.129% 

t-2-Pentene 646-04-8 742 Trans-2-pentene 0.351% 0.356% 

t-3-Heptene 14686-14-7 743 Trans-3-heptene 0.032% 0.032% 

t-3-Me-2-Pentene 616-12-6 239 3-methyl-trans-2-pentene 0.084% 0.086% 

valeraldehyde 110-62-3 845 Valeraldehyde 0.024% 0.024% 

sum 100.000% 100.000% 
4 

Table B-2. Exhaust emissions for E85. 

Chemical Compound CAS NumberSpecie_IDSPECIATE4 Specie Name - QA E85 Wt% 

1,1,2-Trimethylcyclopentane 4259-00-1 9 1,1,2-Trimethylcyclopentane 0.002% 

1,1,3-Trimethylcyclopentane 4516-69-2 13 1,1,3-Trimethylcyclopentane 0.002% 

1,1-Dimethylcyclopentane 1638-26-2 20 1,1-Dimethylcyclopentane 0.006% 

1,2,3,5-Tetramethylbenzene 527-53-7 23 1,2,3,5-Tetramethylbenzene 0.003% 

1,2,3-Trimethylbenzene 135-98-8 25 1,2,3-Trimethylbenzene 0.014% 

1,2,3-Trimethylcyclopentane 19374-46-0 1537 Cis,Trans,Cis-1,2,3-Trimethyl Cyclopentane 0.002% 

1,2,4,5-Tetramethylbenzene 95-93-2 28 1,2,4,5-Tetramethylbenzene 0.004% 

1,2,4-Trimethylbenzene 95-63-6 30 1,2,4-Trimethylbenzene (1,3,4-Trimethylbenzene) 0.093% 

1,2,4-Trimethylcyclopentane 16883-48-0 358 Cis-1,Trans-2,4-Trimethylcyclopentane 0.016% 

1,2-Diethylbenzene 135-01-3 36 1,2-Diethylbenzene (Ortho) 0.016% 

1,2-Dimethyl-3-Ethylbenzene 933-98-2 37 1,2-Dimethyl-3-Ethylbenzene 0.004% 

1,2-Dimethyl-4-Ethylbenzene 934-80-5 39 1,2-Dimethyl-4-Ethylbenzene 0.005% 

1,3,5-Trimethylbenzene 108-67-8 44 1,3,5-Trimethylbenzene 0.062% 

1,3-Butadiene 106-99-0 46 1,3-Butadiene 0.044% 

1,3-Diethylbenzene 141-93-5 51 1,3-Diethylbenzene (Meta) 0.009% 

1,3-Dimethyl-2-Ethylbenzene 2870-04-4 52 1,3-Dimethyl-2-Ethylbenzene 0.010% 

1,3-Dimethyl-4-Ethylbenzene 874-41-9 53 1,3-Dimethyl-4-Ethylbenzene 0.007% 

1,3-Dimethyl-5-Ethylbenzene 934-74-7 55 1,3-Dimethyl-5-Ethylbenzene 0.001% 

1,3-Dimethylcyclohexane 2207-03-6 726 Trans-1,3-Dimethylcyclohexane 0.000% 

1,4-Dimethyl-2-Ethylbenzene 1758-88-9 60 1,4-Dimethyl-2-Ethylbenzene 0.002% 

1,4-Pentadiene 591-93-5 2220 Pentadiene 0.015% 

1,5-Dimethylcyclopentene 16491-15-9 2062 Dimethylcyclopentenes 0.009% 

1-Butene 106-98-9 64 1-Butene 0.068% 

1-Butene-3-Yne 689-97-4 770 Vinylacetylene 0.000% 

1-Butyne 107-00-6 65 1-Butyne 0.002% 

1-Cis-2-Dimethylcyclopentane 1192-18-3 360 Cis-1-2-Dimethylcyclopentane 0.009% 

1-Ethylcyclopentene 2146-38-5 2087 Ethylcyclopentene 0.012% 

1-Hexene 592-41-6 78 1-Hexene 0.009% 

1-Methyl-1h-Indene 767-59-9 2187 Methylindene 0.000% 

1-Methyl-2-Ethylbenzene 611-14-3 80 1-Methyl-2-Ethylbenzene 0.028% 

1-Methyl-2-N-Propylbenzene 1074-17-5 84 1-Methyl-2-Npropylbenzene 0.003% 

1-Methyl-3-Ethylbenzene 620-14-4 89 1-Methyl-3-Ethylbenzene 0.110% 

1-Methyl-3-Isopropylbenzene 535-77-3 90 1-Methyl-3-Isopropylbenzene 0.004% 

1-Methyl-3-N-Propylbenzene 1074-43-7 92 1-Methyl-3-Propylbenzene 0.008% 

1-Methyl-4-Ethylbenzene 622-96-8 94 1-Methyl-4-Ethylbenzene 0.046% 

1-Methylcyclopentene 693-89-0 103 1-Methylcyclopentene 0.009% 

1-Methylpropylbenzene 135-98-8 1 (1-Methylpropyl)Benzene 0.001% 

1-Nonene 124-11-8 106 1-Nonene 0.016% 

1-Octene 111-66-0 107 1-Octene 0.006% 

1-Pentene 109-67-1 108 1-Pentene 0.037% 

2,2,3-Trimethylbutane 464-06-2 112 2,2,3-Trimethylbutane 0.012% 

2,2,3-Trimethylpentane 564-02-3 113 2,2,3-Trimethylpentane 0.005% 

2,2,5-Trimethylhexane 3522-94-9 121 2,2,5-Trimethylhexane 0.111% 

2,2-Dimethylbutane 75-83-2 122 2,2-Dimethylbutane 0.056% 

2,2-Dimethylpentane 590-35-2 126 2,2-Dimethylpentane 0.010% 

2,3,4-Trimethylpentane 565-75-3 130 2,3,4-Trimethylpentane 0.224% 

2,3,5-Trimethylhexane 1069-53-0 132 2,3,5-Trimethylhexane 0.019% 

2,3-Dihydroindene(Indan) 496-11-7 485 Indan 0.011% 

2,3-Dimethyl-2-Butene 563-79-1 133 2,3-Dimethyl-1-Butene 0.004% 

2,3-Dimethyl-2-Pentene 10574-37-5 135 2,3-Dimethyl-2-Pentene 0.000% 

2,3-Dimethylbutane 79-29-8 136 2,3-Dimethylbutane 0.152% 

2,3-Dimethylheptane 3074-71-3 137 2,3-Dimethylheptane 0.002% 

2,3-Dimethylhexane 584-94-1 138 2,3-Dimethylhexane 0.078% 

2,3-Dimethylpentane 565-59-3 140 2,3-Dimethylpentane 0.405% 

2,4-Dimethyl-1-Pentene 2213-32-3 146 2,4-Dimethyl-1-Pentene 0.002% 

2,4-Dimethylheptane 2213-23-2 148 2,4-Dimethylheptane 0.009% 

2,4-Dimethylhexane 589-43-5 149 2,4-Dimethylhexane 0.110% 

2,4-Dimethylpentane 108-08-7 152 2,4-Dimethylpentane 0.222% 

2,5-Dimethylheptane 2216-30-0 155 2,5-Dimethylheptane 0.017% 

2,5-Dimethylhexane 592-13-2 156 2,5-Dimethylhexane 0.063% 

2,5-Dmbenzaldehyde 5779-94-2 1712 2,5-Dimethylbenzaldehyde 0.000% 

2,6-Dimethylheptane 106-42-3 648 P-Xylene 0.008% 

2-Butanone 78-93-3 536 Methyl Ethyl Ketone (2-Butanone) 0.020% 

2-Butyne 503-17-3 170 2-Butyne 0.020% 

2-Ethyl-1-Butene 760-21-4 176 2-Ethyl-1-Butene 0.001% 

2-Methyl-1-Butene 563-46-2 181 2-Methyl-1-Butene 0.027% 

2-Methyl-1-Butene-3-Yne 78-80-8 2220 Pentadiene 0.002% 

2-Methyl-1-Pentene 763-29-1 184 2-Methyl-1-Pentene 0.016% 

2-Methyl-2-Butene 513-35-9 185 2-Methyl-2-Butene 0.018% 

2-Methyl-2-Hexene 2738-19-4 186 2-Methyl-2-Hexene 0.005% 

2-Methyl-2-Pentene 625-27-4 187 2-Methyl-2-Pentene 0.012% 

2-Methylheptane 592-27-8 193 2-Methylheptane 0.057% 
5 

Chemical Compound CAS NumberSpecie_IDSPECIATE4 Specie Name - QA E85 Wt% 

2-Methylhexane 591-76-4 194 2-Methylhexane 0.113% 

2-Methylpentane 107-83-5 199 2-Methylpentane 0.412% 

2-Methylpropylbenzene 538-93-2 3 (2-Methylpropyl)Benzene 0.001% 

2-Nonene 2216-38-8 1654 Cis-2-Nonene 0.001% 

2-Octene 111-67-1 1961 C-2-Octene 0.010% 

2-Propanol 67-63-0 513 Isopropyl Alcohol 0.018% 

3,3-Dimethyl-1-Butene 558-37-2 203 3,3-Dimethyl-1-Butene 0.013% 

3,3-Dimethylpentane 562-49-2 208 3,3-Dimethylpentane 0.013% 

3,4-Dimethylheptane 922-28-1 211 3,4-Dimethylheptane 0.007% 

3,4-Dimethylhexane 583-48-2 212 3,4-Dimethylhexane 0.021% 

3,5-Dimethylheptane 926-82-9 215 3,5-Dimethylheptane 0.010% 

3-Ethyl-2-Pentene 816-79-5 221 3-Ethyl-2-Pentene 0.001% 

3-Ethylcyclopentene 694-35-9 2087 Ethylcyclopentene 0.004% 

3-Ethylhexane 619-99-8 226 3-Ethylhexane 0.010% 

3-Methyl-1-Butene 563-45-1 230 3-Methyl-1-Butene 0.010% 

3-Methyl-1-Pentene 760-20-3 232 3-Methyl-1-Pentene 0.015% 

3-Methylcyclohexene 591-48-0 2169 Methylcyclohexene 0.006% 

3-Methylcyclopentene 1120-62-3 242 3-Methylcyclopentene 0.004% 

3-Methylheptane 589-81-1 244 3-Methylheptane 0.072% 

3-Methylhexane 589-34-4 245 3-Methylhexane 0.133% 

3-Methyloctane 2216-33-3 247 3-Methyloctane 0.031% 

3-Methylpentane 96-14-0 248 3-Methylpentane 0.191% 

3-Methyl-Trans-3-Hexene 3899-36-3 240 3-Methyl-Trans-3-Hexene 0.003% 

4,4-Dimethyl-2-Pentene 26232-98-4 252 4,4-Dimethyl-2-Pentene 0.005% 

4-Ethylcyclopentene 3742-38-9 2087 Ethylcyclopentene 0.001% 

4-Methyl-1-Hexene 3769-23-1 257 4-Methyl-1-Hexene 0.004% 

4-Methyl-1-Pentene 691-37-2 258 4-Methyl-1-Pentene 0.000% 

4-Methyl-Cis-2-Pentene 691-38-3 260 4-Methyl-Cis-2-Pentene 0.003% 

4-Methylcyclohexene 591-47-9 2169 Methylcyclohexene 0.001% 

4-Methylcyclopentene 1759-81-5 1879 4-Methylcyclopentene 0.006% 

4-Methylheptane 589-53-7 264 4-Methylheptane 0.030% 

4-Methyl-Trans-2-Pentene 674-76-0 262 4-Methyl-Trans-2-Pentene 0.011% 

4-Nonene 2198-23-4 1654 Cis-2-Nonene 0.005% 

Acetaldehyde 75-07-0 279 Acetaldehyde 7.803% 

Acetone 67-64-1 281 Acetone 0.046% 

Acetylene 74-86-2 282 Acetylene 0.387% 

Acrolein 107-02-8 283 Acrolein (2-Propenal) 0.030% 

Benzaldehyde 100-52-7 301 Benzaldehyde 0.023% 

Benzene 71-43-2 302 Benzene 0.193% 

Butyraldehyde 123-72-8 313 Butyraldehyde 0.002% 

C,T,C-1,2,3-Trimethylcyclopentane 15890-40-1 357 Cis-1,Trans-2,3-Trimethylcyclopentane 0.002% 

C10h12 0 1927 C10h12 0.012% 

C10h20 0 316 C10 Internal Alkenes 0.040% 

C10h22 0 628 Other C10 0.040% 

C11h14 0 1567 Unknown C11 Aromatics 0.005% 

C11h16 0 318 C11 Dialkyl Benzenes 0.007% 

C11h24 0 1929 C-11 Compounds 0.133% 

C12h16 0 1582 Unknown C12 Aromatics 0.000% 

C12h18 0 320 C12 Dialkyl Benzenes 0.000% 

C12h26 0 1931 C-12 Compounds 0.002% 

C13h28 0 1933 C-13 Compounds 0.000% 

C5h6 0 0.0000% 

C5h8 0 2230 Piperylene 0.007% 

C6h10 0 1118 1,3-Hexadiene (Trans) 0.004% 

C6h8 0 2004 C6h8 Isomer 0.004% 

C7h12 0 633 Other C7 0.005% 

C7h14 0 2007 C7 Olefins 0.016% 

C8h14 0 2016 C8h14 0.022% 

C8h16 0 634 Other C8 0.071% 

C9h16 0 2123 Isomers Of C9h16 0.002% 

C9h18 0 2020 C9 Olefins 0.049% 

Cis-1,3-Dimethylcyclopentane 2532-58-3 353 Cis-1,3-Dimethylcyclopentane 0.019% 

Cis-1,3-Pentadiene 1574-41-0 2230 Piperylene 0.010% 

Cis-1-Ethyl-3-Methylcyclopentane 2613-66-3 364 Cis-1-Ethyl-3-Methylcyclopentane 0.007% 

Cis-2-Butene 590-18-1 367 Cis-2-Butene 0.177% 

Cis-2-Hexene 7688-21-3 369 Cis-2-Hexene 0.005% 

Cis-2-Pentene 627-20-3 371 Cis-2-Pentene 0.013% 

Cis-3-Hexene 7642-09-3 372 Cis-3-Hexene 0.007% 

Cis-3-Methyl-2-Hexene 10574-36-4 235 3-Methyl-Cis-2-Hexene 0.001% 

Cis-3-Methyl-2-Pentene 922-62-3 236 3-Methyl-Cis-2-Pentene 0.008% 

Cis-3-Methyl-3-Hexene 4914-89-0 237 3-Methyl-Cis-3-Hexene 0.011% 

Crotonaldehyde 123-73-9 382 Crotonaldehyde 0.035% 

Cyclohexane 110-82-7 385 Cyclohexane 0.032% 
6 

Chemical Compound CAS NumberSpecie_IDSPECIATE4 Specie Name - QA E85 Wt% 

Cyclopentadiene 542-92-7 48 1,3-Cyclopentadiene 0.002% 

Cyclopentane 287-92-3 390 Cyclopentane 0.028% 

Cyclopentene 142-29-0 391 Cyclopentene 0.012% 

Ethane 74-84-0 438 Ethane 1.834% 

Ethanol 64-17-5 442 Ethyl Alcohol 32.781% 

Ethylbenzene 100-41-4 449 Ethylbenzene 0.222% 

Ethylene 74-85-1 452 Ethylene 3.989% 

Formaldehyde 50-00-0 465 Formaldehyde 0.921% 

Hexanaldehyde 66-25-1 840 Hexaldehyde 0.003% 

Iso-Butane 75-28-5 491 Isobutane 0.010% 

Iso-Butylene 115-11-7 497 Isobutylene 0.340% 

Iso-Octane 540-84-1 118 2,2,4-Trimethylpentane 0.898% 

Iso-Pentane 78-78-4 508 Isopentane 1.131% 

Isoprene 78-79-5 511 Isoprene 0.032% 

Isopropylbenzene 98-82-8 514 Isopropylbenzene (Cumene) 0.009% 

Isopropylcyclopentane 3875-51-2 1538 Cyclopentane, (1-Methylethyl)- 0.042% 

M&P-Xylene 0 522 M & P-Xylene 0.582% 

Methacrolein 78-85-3 188 2-Methyl-2-Propenal 0.006% 

Methane 74-82-8 529 Methane 37.109% 

Methanol 67-56-1 531 Methyl Alcohol 3.689% 

Methylacetylene 74-99-7 109 1-Propyne 0.008% 

Methylcyclohexane 108-87-2 550 Methylcyclohexane 0.039% 

Methylcyclopentane 96-37-7 551 Methylcyclopentane 0.087% 

Mtbe 1634-04-4 548 Methyl T-Butyl Ether 0.423% 

M-Tolualdehyde 620-23-5 716 Tolualdehyde 0.013% 

Naphthalene 91-20-3 611 Naphthalene 0.017% 

N-Butane 106-97-8 592 N-Butane 0.699% 

N-Butylcyclopentane 2040-95-1 597 N-Butylcyclopentane 0.001% 

N-Decane 124-18-5 598 N-Decane 0.009% 

N-Dodecane 112-40-3 599 N-Dodecane 0.001% 

N-Heptane 142-82-5 600 N-Heptane 0.087% 

N-Hexane 110-54-3 601 N-Hexane 0.213% 

N-Nonane 111-84-2 603 N-Nonane 0.010% 

N-Octane 111-65-9 604 N-Octane 0.045% 

N-Pentane 109-66-0 605 N-Pentane 0.344% 

N-Propylbenzene 103-65-1 608 N-Propylbenzene 0.033% 

N-Propylcyclopentane 2040-96-2 677 Propylcyclopentane 0.001% 

N-Undecane 1120-21-4 610 N-Undecane 0.001% 

O-Methylstyrene 100-80-1 547 Methyl Styrene (Mixed) (Vinyl Toluene) 0.005% 

O-Xylene 95-47-6 620 O-Xylene 0.177% 

P-Methylstyrene 622-97-9 1036 4-Methylstyrene 0.001% 

Propadiene 463-49-0 42 1,2-Propadiene 0.005% 

Propionaldehyde 123-38-6 673 Propionaldehyde 0.019% 

Propylene 115-07-1 678 Propylene 0.249% 

Styrene 100-42-5 698 Styrene 0.022% 

Toluene 108-88-3 717 Toluene 0.813% 

Trans-1,3-Dimethylcyclopentane 1759-58-6 727 Trans-1,3-Dimethylcyclopentane 0.031% 

Trans-1,3-Pentadiene 2004-70-8 728 Trans-1,3-Pentadiene 0.004% 

Trans-1,4-Dimethylcyclohexane 2207-04-7 729 Trans-1,4-Dimethylcyclohexane 0.009% 

Trans-2-Butene 624-64-6 737 Trans-2-Butene 0.089% 

Trans-2-Heptene 14686-13-6 739 Trans-2-Heptene 0.004% 

Trans-2-Hexene 4050-45-7 740 Trans-2-Hexene 0.010% 

Trans-2-Methyl-3-Hexene 692-24-0 190 2-Methyl-Trans-3-Hexene 0.001% 

Trans-2-Pentene 646-04-8 742 Trans-2-Pentene 0.019% 

Trans-3-Heptene 14686-14-7 743 Trans-3-Heptene 0.003% 

Trans-3-Hexene 13269-52-8 744 Trans-3-Hexene 0.001% 

Trans-3-Methyl-2-Pentene 616-12-6 239 3-Methyl-Trans-2-Pentene 0.011% 

Trans-5-Methyl-2-Hexene 7385-82-2 271 5-Methyl-Cis-2-Hexene 0.003% 

X-Acrolein 107-02-8 283 Acrolein (2-Propenal) 0.017% 

X-Valeraldehyde 110-62-3 845 Valeraldehyde 0.002% 

*** Unknown *** 0 #N/A #N/A 0.050% 

Sum 100.000% 
7 

Table B-3. Evaporative emissions for E0 and E10.

Chemical Compound CAS Number SPECIE_IDSPECIATE4 Specie Name - QA E0 Weight Percent E10 Weight Percent

Methanol 67-56-1 531 Methyl alcohol 0.000% 0.000% 

Ethanol 64-17-5 442 Ethyl alcohol 0.000% 11.896% 

Methane 74-82-8 529 Methane 1.267% 1.281% 

Ethene 74-85-1 452 Ethylene 0.068% 0.026% 

Ethyne 74-86-2 282 Acetylene 0.001% 0.000% 

Ethane 74-84-0 438 Ethane 0.020% 0.000% 

Propene 115-07-1 678 Propylene 0.000% 0.000% 

Propane 74-98-6 671 Propane 0.256% 0.413% 

Propadiene 463-49-0 42 1,2-propadiene 0.000% 0.000% 

Propyne 74-99-7 109 1-propyne 0.013% 0.000% 

2M-Propane 75-28-5 491 Isobutane 0.849% 0.906% 

2M-Propene 115-11-7 497 Isobutylene 0.000% 0.001% 

1-Butene 106-98-9 64 1-butene 0.000% 0.001% 

1;3-Butadiene 106-99-0 46 1,3-butadiene 0.292% 0.000% 

Butane 106-97-8 592 N-butane 25.964% 15.082% 

t-2-Butene 624-64-6 737 Trans-2-butene 0.000% 0.015% 

2;2-DM-Propane 463-82-1 127 2,2-dimethylpropane 0.038% 0.006% 

1-Butyne 107-00-6 65 1-butyne 0.097% 0.000% 

c-2-Butene 590-18-1 367 Cis-2-butene 0.035% 0.038% 

3M-1-Butene 563-45-1 230 3-methyl-1-butene 0.003% 0.030% 

2M-Butane 78-78-4 508 Isopentane 9.194% 8.570% 

2-Butyne 503-17-3 170 2-butyne 0.000% 0.000% 

1-Pentene 109-67-1 108 1-pentene 0.191% 0.178% 

2M-1-Butene 563-46-2 181 2-methyl-1-butene 0.555% 0.472% 

Pentane 109-66-0 605 N-pentane 6.153% 5.704% 

2M-1;3-Butadiene 78-79-5 511 Isoprene 0.003% 0.001% 

t-2-Pentene 646-04-8 742 Trans-2-pentene 1.064% 0.825% 

3;3-DM-1-Butene 558-37-2 203 3,3-dimethyl-1-butene 0.005% 0.000% 

c-2-Pentene 627-20-3 371 Cis-2-pentene 0.552% 0.263% 

2M-2-Butene 513-35-9 185 2-methyl-2-butene 1.712% 0.926% 

Cyclopentadiene 542-92-7 48 1,3-cyclopentadiene 0.000% 0.001% 

2;2-DM-Butane 75-83-2 122 2,2-dimethylbutane 0.902% 1.017% 

Cyclopentene 142-29-0 391 Cyclopentene 0.121% 0.026% 

4M-1-Pentene 691-37-2 258 4-methyl-1-pentene 0.000% 0.004% 

3M-1-Pentene 760-20-3 232 3-methyl-1-pentene 0.006% 0.000% 

Cyclopentane 287-92-3 390 Cyclopentane 0.300% 0.319% 

2;3-DM-Butane 79-29-8 136 2,3-dimethylbutane 1.242% 1.519% 

MTBE 1634-04-4 548 Methyl t-butyl ether 0.537% 0.319% 

4M-c-2-Pentene 691-38-3 260 4-methyl-cis-2-pentene 0.196% 0.000% 

2M-Pentane 107-83-5 199 2-methylpentane 4.651% 4.698% 

4M-t-2-Pentene 674-76-0 262 4-methyl-trans-2-pentene 0.093% 0.030% 

3M-Pentane 96-14-0 248 3-methylpentane 2.338% 2.050% 

2M-1-Pentene 763-29-1 184 2-methyl-1-pentene 0.080% 0.015% 

1-Hexene 592-41-6 78 1-hexene 0.048% 0.003% 

Hexane 110-54-3 601 N-hexane 2.217% 2.536% 

t-3-Hexene 13269-52-8 744 Trans-3-hexene 0.060% 0.005% 

c-3-Hexene 7642-09-3 1975 C-3-Hexene 0.002% 0.000% 

t-2-Hexene 4050-45-7 740 Trans-2-hexene 0.165% 0.025% 

3M-t-2-Pentene 616-12-6 239 3-methyl-trans-2-pentene 0.294% 0.034% 

2M-2-Pentene 625-27-4 187 2-methyl-2-pentene 0.066% 0.020% 

3M-Cyclopentene 1120-62-3 242 3-methylcyclopentene 0.586% 0.562% 

c-2-Hexene 7688-21-3 369 Cis-2-hexene 0.033% 0.008% 

ETBE 637-92-3 75 1-ethyltertbutylether 0.383% 0.029% 

2;2-DM-Pentane 590-35-2 126 2,2-dimethylpentane 0.007% 0.001% 

M-Cyclopentane 96-37-7 551 Methylcyclopentane 0.820% 0.566% 

2;4-DM-Pentane 108-08-7 152 2,4-dimethylpentane 0.558% 1.228% 

2;2;3-TM-Butane 464-06-2 112 2,2,3-trimethylbutane 0.005% 0.001% 

Benzene 71-43-2 302 Benzene 3.318% 3.187% 

3M-1-Hexene 3404-61-3 231 3-methyl-1-hexene 0.024% 0.000% 

3;3-DM-Pentane 562-49-2 208 3,3-dimethylpentane 0.000% 0.002% 

Cyclohexane 110-82-7 385 Cyclohexane 0.054% 0.027% 

2M-Hexane 591-76-4 194 2-methylhexane 0.758% 0.424% 

2;3-DM-Pentane 565-59-3 140 2,3-dimethylpentane 0.871% 1.919% 

Cyclohexene 110-83-8 388 Cyclohexene 0.000% 0.001% 

3M-Hexane 589-34-4 245 3-methylhexane 0.817% 0.441% 

c-1;3-DM-CyPentane 2532-58-3 353 Cis-1,3-dimethylcyclopentane 0.041% 0.015% 

t-1;2-DM-Cypentane 822-50-4 725 Trans-1,2-dimethylcyclopentane 0.057% 0.023% 

1-Heptene 592-76-7 76 1-heptene 0.012% 0.000% 

2;2;4-TM-Pentane 540-84-1 118 2,2,4-trimethylpentane 1.984% 3.354% 

t-3-Heptene 14686-14-7 743 Trans-3-heptene 0.003% 0.001% 

Heptane 142-82-5 600 N-heptane 0.618% 0.549% 

2M-2-Hexene 2738-19-4 186 2-methyl-2-hexene 0.018% 0.004% 
8 

Chemical Compound CAS Number SPECIE_IDSPECIATE4 Specie Name - QA E0 Weight Percent E10 Weight Percent

3M-t-3-Hexene 3899-36-3 240 3-methyl-trans-3-hexene 0.000% 0.000% 

t-2-Heptene 14686-13-6 739 Trans-2-heptene 0.002% 0.001% 

3E-c-2-Pentene 816-79-5 221 3-ethyl-2-pentene 0.000% 0.001% 

2;4;4-TM-1-Pentene 107-39-1 141 2,4,4-trimethyl-1-pentene 0.002% 0.001% 

2;3-DM2;-Pentene 10574-37-5 135 2,3-dimethyl-2-pentene 0.000% 0.000% 

c-2-Heptene 6443-92-1 368 Cis-2-heptene 0.004% 0.001% 

M-Cyclohexane 108-87-2 550 Methylcyclohexane 0.198% 0.066% 

2;2-DM-Hexane 590-73-8 124 2,2-dimethylhexane 0.000% 0.001% 

2;4;4-TM-2-Pentene 107-40-4 142 2,4,4-trimethyl-2-pentene 0.000% 0.000% 

2;5-DM-Hexane 592-13-2 156 2,5-dimethylhexane 0.070% 0.045% 

E-Cyclopentane 1640-89-7 451 Ethylcyclopentane 0.032% 0.000% 

2;4-DM-Hexane 589-43-5 149 2,4-dimethylhexane 0.148% 0.330% 

3;3-DM-Hexane 563-16-6 206 3,3-dimethylhexane 0.002% 0.002% 

2;3;4-TM-Pentane 565-75-3 130 2,3,4-trimethylpentane 0.917% 2.146% 

Toluene 108-88-3 717 Toluene 9.643% 14.336% 

2;3-DM-Hexane 584-94-1 138 2,3-dimethylhexane 0.090% 0.086% 

2M-Heptane 592-27-8 193 2-methylheptane 0.206% 0.042% 

4M-Heptane 589-53-7 264 4-methylheptane 0.029% 0.002% 

3M-Heptane 589-81-1 244 3-methylheptane 0.305% 0.081% 

1c;2t;3-TM-Cycpentane 15890-40-1 357 Cis-1,trans-2,3-trimethylcyclopentane 0.000% 0.000% 

c-1;3-DM-CycHexane 638-04-0 352 Cis-1,3-dimethylcyclohexane 0.001% 0.001% 

t-1;4-DM-CycHexane 2207-04-7 729 Trans-1,4-dimethylcyclohexane 0.000% 0.000% 

2;2;5-TM-Hexane 3522-94-9 121 2,2,5-trimethylhexane 0.037% 0.101% 

1-Octene 111-66-0 107 1-octene 0.000% 0.002% 

t-4-Octene 14850-23-8 746 Trans-4-octene 0.000% 0.001% 

Octane 111-65-9 604 N-octane 0.181% 0.092% 

t-2-Octene 13389-42-9 741 Trans-2-octene 0.018% 0.000% 

t-1;3-DM-CycHexane 2207-03-6 726 Trans-1,3-dimethylcyclohexane 0.000% 0.000% 

c-2-Octene 7642-04-8 1961 C-2-Octene 0.000% 0.000% 

2;3;5-TM-Hexane 1069-53-0 132 2,3,5-trimethylhexane 0.000% 0.000% 

2;4-DM-Heptane 2213-23-2 148 2,4-dimethylheptane 0.050% 0.000% 

1c-2DM-Cyclohexane 2207-01-4 351 Cis-1,2-dimethylcyclohexane 0.029% 0.000% 

E-CycHexane 1678-91-7 450 Ethylcyclohexane 0.059% 0.000% 

3;5-DM-Heptane 926-82-9 215 3,5-dimethylheptane 0.033% 0.045% 

E-Benzene 100-41-4 449 Ethylbenzene 2.521% 1.721% 

2;3-DM-Heptane 3074-71-3 137 2,3-dimethylheptane 0.001% 0.000% 

m&p-Xylene 

108-38-3, 

106-42-3 522 M & p-xylene 5.945% 4.649% 

4M-Octane 2216-34-4 267 4-methyloctane 0.048% 0.001% 

3M-Octane 2216-33-3 247 3-methyloctane 0.031% 0.001% 

Styrene 100-42-5 698 Styrene 0.000% 0.000% 

o-Xylene 95-47-6 620 O-xylene 2.054% 1.774% 

1-Nonene 124-11-8 106 1-nonene 0.032% 0.005% 

Nonane 111-84-2 603 N-nonane 0.005% 0.000% 

i-PropBenzene 98-82-8 514 Isopropylbenzene (cumene) 0.001% 0.000% 

2;2-DM-Octane 15869-87-1 125 2,2-dimethyloctane 0.000% 0.000% 

2;4-DM-Octane 4032-94-4 151 2,4-dimethyloctane 0.033% 0.023% 

n-PropBenzene 103-65-1 608 N-propylbenzene 0.196% 0.100% 

1M-3E-Benzene 620-14-4 89 1-Methyl-3-ethylbenzene 1.306% 1.073% 

1M-4E-Benzene 622-96-8 94 1-Methyl-4-ethylbenzene 0.502% 0.248% 

1;3;5-TM-Benzene 108-67-8 44 1,3,5-trimethylbenzene 0.386% 0.204% 

1E-2M-Benzene 611-14-3 80 1-Methyl-2-ethylbenzene 0.227% 0.022% 

1;2;4-TM-Benzene 95-63-6 30 

1,2,4-trimethylbenzene 

(1,3,4-trimethylbenzene) 1.314% 0.926% 

Decane 124-18-5 598 N-decane 0.000% 0.000% 

s-ButBenzene 135-98-8 1 (1-Methylpropyl)benzene 0.021% 0.000% 

1M-4-i-ButBenzene 1595-16-0 96 1-Methyl-4-isobutylbenzene 0.000% 0.000% 

1;2;3-TM-Benzene 526-73-8 25 1,2,3-trimethylbenzene 0.138% 0.073% 

Indan 496-11-7 485 Indan 0.050% 0.000% 

1;3-DE-Benzene 141-93-5 51 1,3-diethylbenzene (meta) 0.000% 0.000% 

1;4-DE-Benzene 105-05-5 59 1,4-diethylbenzene (para) 0.057% 0.017% 

nButBenzene 104-51-8 596 N-butylbenzene 0.136% 0.043% 

1;2-DE-Benzene 135-01-3 36 1,2-diethylbenzene (ortho) 0.050% 0.087% 

Undecane 1120-21-4 610 N-undecane 0.082% 0.000% 

1;2;4;5-TetMBenzene 95-93-2 28 1,2,4,5-tetramethylbenzene 0.006% 0.000% 

1;2;3;5-TetMBenzene 527-53-7 23 1,2,3,5-tetramethylbenzene 0.018% 0.000% 

1;2;3;4-TetMBenzene 488-23-3 22 1,2,3,4-tetramethylbenzene 0.128% 0.000% 

Naphthalene 91-20-3 611 Naphthalene 0.030% 0.000% 

Dodecane 112-40-3 599 N-dodecane 0.007% 0.054% 

100.000% 100.000% 
9 

Table B-4. Evaporative emissions for E85. 

Chemical Compound CAS Numbers SPECIE_ID Speciate4 Specie Name - Qa Wt % 

Methane 74-82-8 529 Methane 0.474% 

Methanol 67-56-1 531 Methyl Alcohol 2.438% 

Ethanol 64-17-5 442 Ethyl Alcohol 61.230% 

Ethene 74-85-1 452 Ethylene 0.000% 

Ethyne 74-86-2 282 Acetylene 0.016% 

Ethane 74-84-0 438 Ethane 0.000% 

Propene 115-07-1 678 Propylene 0.002% 

Propane 74-98-6 671 Propane 0.000% 

Propadiene 463-49-0 42 1,2-Propadiene 0.000% 

Propyne 74-99-7 109 1-Propyne 0.000% 

2M-Propane 75-28-5 491 Isobutane 0.333% 

2M-Propene 115-11-7 497 Isobutylene 0.045% 

1-Butene 106-98-9 64 1-Butene 0.000% 

1;3-Butadiene 106-99-0 46 1,3-Butadiene 0.000% 

Butane 106-97-8 592 N-Butane 6.426% 

t-2-Butene 624-64-6 737 Trans-2-Butene 0.000% 

2;2-DM-Propane 463-82-1 127 2,2-Dimethylpropane 0.000% 

1-Butyne 107-00-6 65 1-Butyne 0.000% 

c-2-Butene 590-18-1 367 Cis-2-Butene 0.131% 

3M-1-Butene 563-45-1 230 3-Methyl-1-Butene 0.000% 

2M-Butane 78-78-4 508 Isopentane 2.909% 

2-Butyne 503-17-3 170 2-Butyne 0.000% 

1-Pentene 109-67-1 108 1-Pentene 0.049% 

2M-1-Butene 563-46-2 181 2-Methyl-1-Butene 0.112% 

Pentane 109-66-0 605 N-Pentane 1.289% 

2M-1;3-Butadiene 78-79-5 511 Isoprene 0.025% 

t-2-Pentene 646-04-8 742 Trans-2-Pentene 0.213% 

3;3-DM-1-Butene 558-37-2 203 3,3-Dimethyl-1-Butene 0.055% 

c-2-Pentene 627-20-3 371 Cis-2-Pentene 0.122% 

2M-2-Butene 513-35-9 185 2-Methyl-2-Butene 0.247% 

Cyclopentadiene 542-92-7 48 1,3-Cyclopentadiene 0.000% 

2;2-DM-Butane 75-83-2 122 2,2-Dimethylbutane 0.245% 

Cyclopentene 142-29-0 391 Cyclopentene 0.035% 

4M-1-Pentene 691-37-2 258 4-Methyl-1-Pentene 0.000% 

3M-1-Pentene 760-20-3 232 3-Methyl-1-Pentene 0.003% 

Cyclopentane 287-92-3 390 Cyclopentane 0.104% 

2;3-DM-Butane 79-29-8 136 2,3-Dimethylbutane 0.511% 

MTBE 1634-04-4 548 Methyl T-Butyl Ether 0.080% 

4M-c-2-Pentene 691-38-3 260 4-Methyl-Cis-2-Pentene 0.000% 

2M-Pentane 107-83-5 199 2-Methylpentane 1.340% 

4M-t-2-Pentene 674-76-0 262 4-Methyl-Trans-2-Pentene 0.022% 

3M-Pentane 96-14-0 248 3-Methylpentane 0.670% 

2M-1-Pentene 763-29-1 184 2-Methyl-1-Pentene 0.053% 

1-Hexene 592-41-6 78 1-Hexene 0.000% 

Hexane 110-54-3 601 N-Hexane 0.606% 

t-3-Hexene 13269-52-8 744 Trans-3-Hexene 0.040% 

c-3-Hexene 7642-09-3 372 Cis-3-Hexene 0.000% 

t-2-Hexene 4050-45-7 740 Trans-2-Hexene 0.069% 

3M-t-2-Pentene 616-12-6 239 3-Methyl-Trans-2-Pentene 0.082% 

2M-2-Pentene 625-27-4 187 2-Methyl-2-Pentene 0.035% 

3M-Cyclopentene 1120-62-3 242 3-Methylcyclopentene 0.000% 

c-2-Hexene 7688-21-3 369 Cis-2-Hexene 0.030% 

3M-c-2 Pentene 922-62-3 236 3-Methyl-Cis-2-Pentene 0.078% 

2;2-DM-Pentane 590-35-2 126 2,2-Dimethylpentane 0.000% 

M-Cyclopentane 96-37-7 551 Methylcyclopentane 0.269% 

2;4-DM-Pentane 108-08-7 152 2,4-Dimethylpentane 0.511% 

2;2;3-TM-Butane 464-06-2 112 2,2,3-Trimethylbutane 0.002% 

3;4-DM-1-Pentene 7385-78-6 209 3,4-Dimethyl-1-Pentene 0.000% 

1M-Cyclopentene 693-89-0 103 1-Methylcyclopentene 0.067% 

Benzene 71-43-2 302 Benzene 0.542% 

3M-1-Hexene 3404-61-3 231 3-Methyl-1-Hexene 0.000% 

3;3-DM-Pentane 562-49-2 208 3,3-Dimethylpentane 0.040% 

Cyclohexane 110-82-7 385 Cyclohexane 0.066% 

2M-Hexane 591-76-4 194 2-Methylhexane 0.219% 

2;3-DM-Pentane 565-59-3 140 2,3-Dimethylpentane 0.916% 

Cyclohexene 110-83-8 388 Cyclohexene 0.003% 

3M-Hexane 589-34-4 245 3-Methylhexane 0.310% 

c-1;3-DM-CycloPentane 2532-58-3 353 Cis-1,3-Dimethylcyclopentane 0.060% 

3E-Pentane 617-78-7 229 3-Ethylpentane 0.082% 

t-1;2-DM-CycloPentane 822-50-4 725 Trans-1,2-Dimethylcyclopentane 0.000% 

1-Heptene 592-76-7 76 1-Heptene 0.000% 

2;2;4-TM-Pentane 540-84-1 118 2,2,4-Trimethylpentane 1.949% 
10 

Chemical Compound CAS Numbers SPECIE_ID Speciate4 Specie Name - Qa Wt % 

t-3-Heptene 14686-14-7 743 Trans-3-Heptene 0.017% 

Heptane 142-82-5 600 N-Heptane 0.279% 

2M-2-Hexene 2738-19-4 186 2-Methyl-2-Hexene 0.048% 

3M-t-3-Hexene 3899-36-3 240 3-Methyl-Trans-3-Hexene 0.000% 

t-2-Heptene 14686-13-6 739 Trans-2-Heptene 0.017% 

3E-c-2-Pentene 816-79-5 221 3-Ethyl-2-Pentene 0.003% 

2;4;4-TM-1-Pentene 107-39-1 141 2,4,4-Trimethyl-1-Pentene 0.028% 

2;3-DM-2-Pentene 10574-37-5 135 2,3-Dimethyl-2-Pentene 0.000% 

c-2-Heptene 6443-92-1 368 Cis-2-Heptene 0.025% 

M-Cyclohexane 108-87-2 550 Methylcyclohexane 0.214% 

2;2-DM-Hexane 590-73-8 124 2,2-Dimethylhexane 0.120% 

2;4;4-TM-2-Pentene 107-40-4 142 2,4,4-Trimethyl-2-Pentene 0.000% 

2;5-DM-Hexane 592-13-2 156 2,5-Dimethylhexane 0.218% 

2;4-DM-Hexane 589-43-5 149 2,4-Dimethylhexane 0.307% 

3;3-DM-Hexane 563-16-6 206 3,3-Dimethylhexane 0.007% 

2;3;4-TM-Pentane 565-75-3 130 2,3,4-Trimethylpentane 0.577% 

2;3;3-TM-Pentane 560-21-4 128 2,3,3-Trimethylpentane 0.577% 

Toluene 108-88-3 717 Toluene 5.193% 

2;3-DM-Hexane 584-94-1 138 2,3-Dimethylhexane 0.272% 

2M-Heptane 592-27-8 193 2-Methylheptane 0.158% 

4M-Heptane 589-53-7 264 4-Methylheptane 0.061% 

3M-Heptane 589-81-1 244 3-Methylheptane 0.166% 

1c;2t;3-TM-CycPentane 15890-40-1 357 Cis-1,Trans-2,3-Trimethylcyclopentane 0.000% 

c-1;3-DM-CycHexane 638-04-0 352 Cis-1,3-Dimethylcyclohexane 0.031% 

t-1;4-DM-CycHexane 2207-04-7 729 Trans-1,4-Dimethylcyclohexane 0.009% 

2;2;5-TM-Hexane 3522-94-9 121 2,2,5-Trimethylhexane 0.208% 

1-Octene 111-66-0 107 1-Octene 0.006% 

t-4-Octene 14850-23-8 746 Trans-4-Octene 0.008% 

Octane 111-65-9 604 N-Octane 0.112% 

t-2-Octene 13389-42-9 741 Trans-2-Octene 0.018% 

t-1;3-DM-CycHexane 2207-03-6 726 Trans-1,3-Dimethylcyclohexane 0.005% 

c-2-Octene 7642-04-8 370 Cis-2-Octene 0.005% 

2;3;5-TM-Hexane 1069-53-0 132 2,3,5-Trimethylhexane 0.013% 

2;4-DM-Heptane 2213-23-2 148 2,4-Dimethylheptane 0.008% 

1c-2-DM-CycloHexane 2207-01-4 351 Cis-1,2-Dimethylcyclohexane 0.006% 

E-CycHexane 1678-91-7 450 Ethylcyclohexane 0.024% 

3;5-DM-Heptane 926-82-9 215 3,5-Dimethylheptane 0.019% 

E-Benzene 100-41-4 449 Ethylbenzene 0.651% 

2;3-DM-Heptane 3074-71-3 137 2,3-Dimethylheptane 0.003% 

m&p-Xylene 108-38-3, 106-42-3 522 M & P-Xylene 1.670% 

2M-Octane 3221-61-2 198 2-Methyloctane 0.043% 

3M-Octane 2216-33-3 247 3-Methyloctane 0.060% 

Styrene 100-42-5 698 Styrene 0.043% 

o-Xylene 95-47-6 620 O-Xylene 0.535% 

1-Nonene 124-11-8 106 1-Nonene 0.033% 

Nonane 111-84-2 603 N-Nonane 0.022% 

i-PropBenzene 98-82-8 514 Isopropylbenzene (Cumene) 0.036% 

2;2-DM-Octane 15869-87-1 125 2,2-Dimethyloctane 0.028% 

2;4-DM-Octane 4032-94-4 151 2,4-Dimethyloctane 0.046% 

n-PropBenzene 103-65-1 608 N-Propylbenzene 0.114% 

1M-3E-Benzene 620-14-4 89 1-Methyl-3-Ethylbenzene 0.514% 

1M-4E-Benzene 622-96-8 94 1-Methyl-4-Ethylbenzene 0.183% 

1;3;5-TM-Benzene 108-67-8 44 1,3,5-Trimethylbenzene 0.209% 

1E-2M-Benzene 611-14-3 80 1-Methyl-2-Ethylbenzene 0.151% 

1;2;4-TM-Benzene 95-63-6 30 1,2,4-Trimethylbenzene (1,3,4-Trimethylbenzene) 0.592% 

Decane 124-18-5 598 N-Decane 0.055% 

i-ButylBenzene 538-93-2 3 (2-Methylpropyl)Benzene 0.000% 

s-ButBenzene 135-98-8 1 (1-Methylpropyl)Benzene 0.003% 

1M-3-i-PropBenzene 535-77-3 90 1-Methyl-3-Isopropylbenzene 0.023% 

1;2;3-TM-Benzene 526-73-8 25 1,2,3-Trimethylbenzene 0.105% 

1M-4-i-PropBenzene 99-87-6 97 1-Methyl-4-Isopropylbenzene 0.071% 

Indan 496-11-7 485 Indan 0.071% 

1M-2-i-PropBenzene 527-84-4 81 1-Methyl-2-Isopropylbenzene 0.018% 

1;3-DE-Benzene 141-93-5 51 1,3-Diethylbenzene (Meta) 0.004% 

1;4-DE-Benzene 105-05-5 59 1,4-Diethylbenzene (Para) 0.022% 

1M-3-n-PropBenzene 1074-43-7 92 1-Methyl-3-Propylbenzene 0.106% 

1M-4-n-PropBenzene 1074-55-1 100 1-Methyl-4-Npropylbenzene 0.133% 

1;2-DE-Benzene 135-01-3 36 1,2-Diethylbenzene (Ortho) 0.000% 

1M-2-n-PropBenzene 1074-17-5 84 1-Methyl-2-Npropylbenzene 0.049% 

1;4-DM-2-E-Benzene 1758-88-9 60 1,4-Dimethyl-2-Ethylbenzene 0.027% 

1;3-DM-4-E-Benzene 874-41-9 53 1,3-Dimethyl-4-Ethylbenzene 0.024% 

1;2-DM-4-E-Benzene 934-80-5 39 1,2-Dimethyl-4-Ethylbenzene 0.074% 

1;3-DM-2-E-Benzene 2870-04-4 52 1,3-Dimethyl-2-Ethylbenzene 0.019% 
11 

Chemical Compound CAS Numbers SPECIE_ID Speciate4 Specie Name - Qa Wt % 

Undecane 1120-21-4 610 N-Undecane 0.069% 

1;2-DM-3-E-Benzene 933-98-2 37 1,2-Dimethyl-3-Ethylbenzene 0.015% 

1;2;4;5-TetMBenzene 95-93-2 28 1,2,4,5-Tetramethylbenzene 0.022% 

2M-ButylBenzene 3968-85-2 0.000% 

1;2;3;5-TetMBenzene 527-53-7 23 1,2,3,5-Tetramethylbenzene 0.085% 

tert-1B-2M-Benzene 1595-11-5 83 1-Methyl-2-N-Butylbenzene 0.048% 

1;2;3;4-TetMBenzene 488-23-3 22 1,2,3,4-Tetramethylbenzene 0.016% 

n-PentBenzene 538-68-1 606 N-Pentylbenzene 0.050% 

tert-1B-3;5-DM-Benz 83 1-Methyl-2-N-Butylbenzene 0.002% 

Naphthalene 91-20-3 611 Naphthalene 0.031% 

Dodecane 112-40-3 599 N-Dodecane 0.009% 

100.000%