Co-Optimization of Fuels & Engines

Properties of Co-Optima Core Research 

Gasolines

August 2018
CO-OPTIMIZATION OF FUELS & ENGINES PROPERTIES OF CO-OPTIMA CORE RESEARCH GASOLINES

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About the Co-Optimization of Fuels and Engines

Initiative

This is one of a series of reports produced as a result of the Co-Optimization of Fuels & Engines 

(Co-Optima) initiative, a Department of Energy (DOE)–sponsored effort initiated to 

simultaneously investigate advanced engine designs and the enabling fuel properties. This firstof-its-kind effort is designed to provide American industry with the scientific underpinnings 

needed to maximize vehicle performance and efficiency, leverage domestic fuel resources, boost 

U.S. jobs, and enhance energy security.

Co-Optima brings together DOE’s Office of Energy Efficiency & Renewable Energy (EERE), 

9 national laboratories, 13 universities, and numerous industry and government stakeholders in a 

collaboration exploring solutions with potential for near-term improvements to the types of fuels 

and engines found in most vehicles currently on the road, as well as to the development of 

revolutionary engine technologies for a longer-term, higher-impact series of solutions.

In addition to the EERE Vehicle Technologies and Bioenergy Technologies Offices, the CoOptima team includes representatives from the National Renewable Energy Laboratory and 

Argonne, Idaho, Lawrence Berkeley, Lawrence Livermore, Los Alamos, Oak Ridge, Pacific 

Northwest, and Sandia National Laboratories. More details on the project—as well as the full 

series of reports—can be found at www.energy.gov/fuel-engine-co-optimization.

Availability

This report is available electronically at no cost from http://www.osti.gov/.

Citation

Please cite this report as follows.

Fouts, Lisa, Gina M. Fioroni, Earl Christensen, Matthew Ratcliff, Robert L. McCormick, 

Bradley T. Zigler, Scott Sluder, James P. Szybist, John E. Dec, Paul C. Miles, Steve Ciatti, J. 

Timothy Bays, William Pitz, and Marco Mehl. 2018. Properties of Co-Optima Core Research 

Gasolines. Technical Report NREL/TP-5400-71341. Golden, CO: National Renewable Energy 

Laboratory.
CO-OPTIMIZATION OF FUELS & ENGINES PROPERTIES OF CO-OPTIMA CORE RESEARCH GASOLINES

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Note

This report was prepared as an account of work sponsored by an agency of the United States 

government. Neither the United States government nor any agency thereof, nor any of their 

employees, makes any warranty, express or implied, or assumes any legal liability or 

responsibility for the accuracy, completeness, or usefulness of any information, apparatus, 

product, or process disclosed, or represents that its use would not infringe privately owned rights. 

Reference herein to any specific commercial product, process, or service by trade name, 

trademark, manufacturer, or otherwise does not necessarily constitute or imply its endorsement, 

recommendation, or favoring by the United States government or any agency thereof. The views 

and opinions of authors expressed herein do not necessarily state or reflect those of the United 

States government or any agency thereof.

This work was authored in part by the National Renewable Energy Laboratory, operated by 

Alliance for Sustainable Energy, LLC, for the U.S. Department of Energy (DOE) under Contract 

No. DE-AC36-08GO28308. Funding provided by the U.S. Department of Energy Office of 

Energy Efficiency and Renewable Energy Vehicle Technologies Office. The views expressed in 

the article do not necessarily represent the views of the DOE or the U.S. Government. The U.S. 

Government retains and the publisher, by accepting the article for publication, acknowledges that 

the U.S. Government retains a nonexclusive, paid-up, irrevocable, worldwide license to publish 

or reproduce the published form of this work, or allow others to do so, for U.S. Government 

purposes.

This report is disseminated by the Department of Energy. As such, the document was prepared in 

compliance with Section 515 of the Treasury and General Government Appropriations Act for 

Fiscal Year 2001 (Public Law No. 106-554) and information quality guidelines issued by the 

Department of Energy. Though this report does not constitute “influential” information, as that 

term is defined in DOE’s information quality guidelines or the Office of Management and 

Budget’s Information Quality Bulletin for Peer Review (Bulletin), as detailed on the 

Acknowledgments page, the report was reviewed both internally and externally prior to 

publication.

Report Contributors and Roles

Authors

Lisa Fouts, Gina M. Fioroni, Earl Christensen, Matthew Ratcliff, Robert L. McCormick, Bradley 

T. Zigler – National Renewable Energy Laboratory

Scott Sluder, James P. Szybist – Oak Ridge National Laboratory

John E. Dec, Paul C. Miles – Sandia National Laboratories

Steve Ciatti – Argonne National Laboratory

J. Timothy Bays – Pacific Northwest National Laboratory

William Pitz, Marco Mehl – Lawrence Livermore National Laboratory
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Acknowledgments

This research was conducted as part of the Co-Optimization of Fuels & Engines (Co-Optima) 

project sponsored by the U.S. Department of Energy (DOE) Office of Energy Efficiency and 

Renewable Energy (EERE), Bioenergy Technologies and Vehicle Technologies Offices. CoOptima is a collaborative project of multiple national laboratories and universities initiated to 

simultaneously accelerate the introduction of affordable, scalable, and sustainable biofuels and 

high-efficiency, low-emission vehicle engines. 

The following U.S. Department of Energy Office of Energy Efficiency and Renewable Energy 

(EERE) officials and managers played important roles in establishing the project concept, 

advancing implementation, and providing ongoing guidance: 

Steven Chalk, Deputy Assistant Secretary for Transportation 

Bioenergy Technologies Office 

Jonathan Male, Director 

Alicia Lindauer, Technology Manager 

Vehicle Technologies Office 

Michael Berube, Director 

Gurpreet Singh, Program Manager, Advanced Combustion Systems and Fuels R&D 

Kevin Stork, Technology Manager, Fuel Technologies and Deployment 

Mike Weismiller, Technology Development Manager 

The national laboratory project management team consisted of: 

John Farrell (Technical Monitor), National Renewable Energy Laboratory (NREL) 

John Holladay, Pacific Northwest National Laboratory (PNNL) 

Robert Wagner, Oak Ridge National Laboratory (ORNL) 

Christopher Moen, Sandia National Laboratories (SNL) 
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List of Acronyms and Abbreviations

ASTM ASTM International

Co-Optima Co-Optimization of Fuels & Engines

13C carbon-13

DHA detailed hydrocarbon analysis

1

H proton

HOV heat of vaporization

MON motor octane number

NMR nuclear magnetic resonance 

PMI particulate matter index

ppm parts per million

RON research octane number

wt% percent by weight
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Table of Contents

List of Acronyms and Abbreviations .........................................................................................v

List of Figures ..........................................................................................................................vi

List of Tables............................................................................................................................vi

Introduction ............................................................................................................................ 1

Methods.................................................................................................................................. 1

Results..................................................................................................................................... 2

Basic Fuel Properties.............................................................................................................................. 2

Nuclear Magnetic Resonance Functional Group Analysis..................................................................... 3

Detailed Hydrocarbon Analysis ............................................................................................................. 7

Volatility................................................................................................................................................. 8

Distillation..................................................................................................................................... 8

True Vapor Pressure...................................................................................................................... 9

Summary............................................................................................................................... 11

Appendix A. NMR Spectroscopy ............................................................................................ 14

Appendix B. Detailed Hydrocarbon Analysis.......................................................................... 20

List of Figures

Figure 1. Distillation curves (D86) for the Co-Optima Core Research Gasolines........................................ 8

Figure 2. True vapor pressure as a function of temperature for the Co-Optima Core gasolines ................ 10

List of Tables

Table 1. Fuel Properties of Co-Optima Core Research Gasolines................................................................ 2

Table 2. Composition Information on Co-Optima Core Research Gasolines............................................... 3

Table 3. Summary of Selected Chemical Structure Characteristics from 13C{1

H} NMR, Normalized by 

Total Carbon Content (Mole % Carbon).................................................................................. 4

Table 4. Summary of Chemical Structure Characteristics from 1H NMR, Normalized by Total Hydrogen 

Content (Mole % Hydrogen).................................................................................................... 5

Table 5. Summary of Chemical Structure Characteristics from 13C{1H} NMR, Normalized by Total 

Carbon Content (Mole % Carbon)........................................................................................... 6

Table 6. Detailed hydrocarbon analysis by ASTM D6729, values in wt% .................................................. 8

Table 7. Distillation Data (D86) for the Co-Optima Core Research Gasolines............................................ 9

Table 8. True Vapor Pressure at Different Temperatures for the Co-Optima Core Gasolines................... 10
CO-OPTIMIZATION OF FUELS & ENGINES PROPERTIES OF CO-OPTIMA CORE RESEARCH GASOLINES

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Introduction

The U.S. Department of Energy’s Co-Optimization of Fuels & Engines (Co-Optima) initiative is 

conducting research to accelerate the introduction of affordable, scalable, and sustainable fuels 

and high-efficiency, low-emission engines. The Co-Optima initiative is focused on identifying 

the fuel properties and engine design characteristics needed to maximize performance and 

affordability while cutting pollutant emissions. The outcome of this effort will be new tools, 

data, and knowledge to pave the way for future generations of fuel and vehicle innovations.

In the area of spark-ignition engines and fuels, Co-Optima researchers have focused on 

identifying fuel properties that can enable market introduction of aggressively downsized and 

turbocharged engines in the 2025 timeframe. Researchers are mapping the relationships between 

production pathways, molecular structure, fuel chemical/physical properties, and engine 

performance. Because the Co-Optima initiative is being conducted across nine national 

laboratories (the National Renewable Energy Laboratory, Argonne, Idaho, Lawrence Berkeley, 

Lawrence Livermore, Los Alamos, Oak Ridge, Pacific Northwest, and Sandia National 

Laboratories) researchers required a set of common spark-ignition engine fuels having similar 

properties but produced from a wide range of fuel chemistries. These fuels are known as the CoOptima Core Research Gasolines. They include alkylate, aromatic, olefin, and naphthene 

hydrocarbon chemistries as well as ethanol. This brief report provides an easily available

tabulation of the properties of these fuels and may be updated with additional fuel property data 

as it becomes available.

Co-Optima researchers have already begun to utilize the Core Research Gasolines, with results 

published in several studies [1-7].

Methods

The Core Research Gasolines were custom blended by Gage Products to have a nominal research 

octane number (RON) of 98 and a motor octane number (MON) of 88, yielding an octane 

sensitivity (the difference between RON and MON) of 10. For the alkylate gasoline, having a 

high octane sensitivity is precluded by fuel chemistry and the target value was zero. Each sample 

was prepared to meet the targeted composition, such as high aromatic, high alkylate, high 

olefinic, high cycloalkane, and E30. 

ASTM International (ASTM) methods were performed as written, unless otherwise noted. 

Detailed hydrocarbon analysis (DHA) was conducted by ASTM D6729. Compound 

identifications were verified with mass spectrometry using the same gas chromatography 

parameters in the ASTM DHA method. Oxygenate (ethanol) content was measured using ASTM 

D5599. Based on the DHA, the particulate matter index (PMI), originally introduced by 

researchers at Honda [8], was implemented using the approach described by Ratcliff et al. [9]

The heat of vaporization (HOV) was measured by differential scanning calorimetry/

thermogravimetric analysis and calculated from the DHA using methods described in Chupka et 

al. [10] True vapor pressure was measured on an Eralytics Eravap using the automated triple 

expansion method of ASTM D6378, extending the temperature range to -20°C to 120°C.
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Index of refraction measurements were conducted at room temperature using a digital 

refractometer (VEE GEE MDX-101) at Sandia National Laboratories [4]. Nuclear magnetic 

resonance (NMR) spectra were recorded at Pacific Northwest National Laboratory on Agilent

500 MHz instruments using sample volumes of approximately 1 mL. 13C{1H} NMR spectra 

were recorded using chromium (III) acetylacetonate as a relaxation agent, which can result in 

slight NMR chemical shift differences from those reported in some databases. Details for sample 

preparation and data acquisition can be found in Appendix A.

Results

Basic Fuel Properties

Commonly measured fuel properties are shown in Table 1, including octane numbers, heating 

value, HOV, and PMI. Yield sooting index was supplied by Yale University [11]. Table 2 lists 

the composition of the Core Research Gasolines, derived from compound class measurements, 

elemental composition, and oxygenate (ethanol) content.

Table 1. Fuel Properties of Co-Optima Core Research Gasolines

 Olefinic E30 Aromatic Alkylate High 

cycloalkane 

Specific gravity D4052 0.7231 0.7529 0.7575 0.6969 0.7557

Density @ 15°C (g/mL) D4052 0.7229 0.7527 0.7572 0.6968 0.7555

Index of refraction @ 20°C

[4]

1.409 1.401 1.431 1.391 1.426

RON (R) D2699 98.2 97.4 98.1 98.0 98.0

MON (M) D2700 88.0 86.6 87.8 96.6 87.1

Octane rating R+M/2 93.1 92.0 93.0 97.3 92.6

Octane sensitivity R-M 10.2 10.8 10.3 1.4 10.9

Reid vapor pressure (psi) D5191 6.10 7.66 7.17 4.15 8.00

Gross heating value 

(MJ/kg)

D4809 47.148 41.096 45.735 47.877 46.018

Net heating value (MJ/kg) D4809 44.071 38.170 42.952 44.524 43.208

HOV (measured) (kJ/kg) 337 565 412 309 393

HOV (calc. from DHA) 

(kJ/kg)

330 532 361 308 370

PMI 1.004 1.275 1.803 0.221 1.491

Yield sooting index [11] 80.95 47.86 114.9 60.91 97.92
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Table 2. Composition Information on Co-Optima Core Research Gasolines

 Olefinic E30 Aromatic Alkylate 

High 

cycloalkane 

Aromatic content D1319 vol% 10.6 8.1 30.8 0 28.2

Olefin content D1319 vol% 31.3 5 4.2 0 1.5

Saturate content D1319 vol% 58.1 57.1 65 100 70.3

Aromatic content D5580 vol% 35.8

Sulfur D2622 mass % <0.001 <0.001 <0.001 <0.001 <0.001

Carbon D5291 mass% 85.40 74.78 87.22 83.75 87.08

Hydrogen D5291 mass% 14.50 13.79 13.12 15.80 13.24

Oxygenates

 Ethanol D5599 vol% <0.1 30.59 <0.1 <0.1 <0.1

 Total oxygen D5599 vol% <0.1 11.19 <0.1 <0.1 <0.1

Nuclear Magnetic Resonance Functional Group Analysis

NMR functional group analyses were performed using 1H and 13C{1H} NMR spectroscopy. 

Summaries of chemical functional groups, including carbon types and chemical substructures, 

are presented in Tables 3 through 5. Table 3 provides a higher-level grouping of carbon types 

while Tables 4 and 5 provide more detailed hydrogen and carbon type descriptions, respectively. 1

H and 13C{1H} spectra for each fuel are shown in Appendix A.
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Table 3. Summary of Selected Chemical Structure Characteristics from 13C{1H} NMR, Normalized by Total 

Carbon Content (Mole % Carbon)

Mole % Carbon 

Structure Groupings Olefinic E30 Aromatic Alkylate 

High 

Cycloalkane 

General Carbon Types 

Aromatic/Olefinic Carbon 18.4 13.6 33.3 0.3 29.5

Aliphatic Carbon 81.6 86.3 66.4 99.5 70.4

CH Carbon (60 – 40 ppm) 7.8 14.1 3.5 11.5 2.2

CH2 Carbon (40 – 22 ppm) 56.3 40.0 40.3 78.4 50.0

CH3 Carbon (22 – 5 ppm) 17.5 32.2 22.6 9.6 18.2

Aromatic/Olefinic Carbon Breakdown 

Phenolic Carbon 0.1 0 0 0.1 0.2

CH2/CH Substituted Aromatic Carbon 5.0 2.4 5.8 0 4.5

Naphthene Substituted Aromatic Carbon 0.4 0.5 1.2 0 0.6

CH3 Substituted Aromatic Carbon 1.1 0.7 1.4 0 0.9

Internal (Bridgehead) Aromatic Carbon 0.3 0.3 0.7 0 0.3

Peripheral Unsubstituted Aromatic Carbon 8.4 8.9 23.3 0.1 22.2

Other or Heteroaromatic Carbon 3.1 0.8 0.9 0.1 0.8

Total Aromatic/Olefinic Carbons 18.4 13.6 33.3 0.3 29.5

ppm: parts per million
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Table 4. Summary of Chemical Structure Characteristics from 1H NMR, Normalized by Total Hydrogen 

Content (Mole % Hydrogen)

 Mole % Hydrogen 

Chemical 

Shift Range 

(ppm) Chemical Meaning Olefinic E30 Aromatic Alkylate 

High 

Cycloalkane 

10.7 - 9.00 Polyaromatics, Aldehydes 0 0 0 0 0

9.000 - 8.200 Tri-ring aromatics 0 0 0.06 0 0.05

8.200 - 7.551 Di-ring aromatics 0.16 0.23 0.28 0 0.26

7.551 - 7.182 Di-ring aromatics 2.89 2.98 0.04 0.06 6.39

7.182 - 7.130 Mono-ring aromatics 3.44 2.09 9.19 0.07 8.87

7.130 - 6.972 Mono-ring aromatics 1.54 2.00 6.63 0.06 2.63

6.972 - 6.785 Substituted mono-ring aromatics 0.57 0.87 2.34 0.02 1.07

6.785 - 6.425 Highly substituted mono-ring 

aromatics 0.01 0.02 0.01 0 0.04

6.425 - 5.1 Olefinic CH, aromatic alcohols 1.37 0.70 0.83 0.01 0.13

5.1 - 4.8 Olefinic CH2, aromatic alcohols 4.01 1.46 1.56 0.01 0.23

4.8 - 4.184 Olefinic CH2 2.87 0 0.01 0 0

4.184 - 3.306

Bridged CH2 groups in fluorene 

types, ethers, alcohols, including 

diols

0 9.35 0.04 0 0.01

3.306 - 2.883 aromatic α-CH 0.05 0.19 0.23 0 0.12

2.883 - 2.641 aromatic α-CH2 0.14 0.19 0.40 0 0.23

2.641 - 2.292 aromatic α-CH2 + α-CH3 2.43 2.22 7.57 0.06 5.31

2.292 - 2.040 aromatic α-CH3 1.03 1.67 3.36 0.03 1.51

2.040 - 1.963 Allylic groups 0.64 0.57 0.58 0.01 0.14

1.963 - 1.570 CH and CH2 groups of naphthenes 16.40 11.05 3.15 8.29 2.74

1.570 - 1.391 CH groups of iso-paraffins 4.55 6.71 18.52 2.85 38.22

1.39 - 1.11 CH2 groups of paraffins (n- and iso-) 13.24 31.50 13.85 12.75 10.38

1.115 - 0.941 CH2 groups of paraffins (n- and iso-) 7.23 3.33 2.56 5.28 1.91

0.941 - 0.254 CH3 groups of paraffins (n- and iso-) 37.43 22.87 28.79 70.50 19.76
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Table 5. Summary of Chemical Structure Characteristics from 13C{1H} NMR, Normalized by Total Carbon 

Content (Mole % Carbon)

Chemical 

Shift Range 

(ppm) 

 Mole % Carbon 

Structure Definition Olefinic E30 Aromatic Alkylate 

High 

Cycloalkane 

220–202 Ketone Carbonyl 0 0 0 0 0

202–195 Aldehyde Carbonyl 0 0 0 0.1 0

195–182 Quinone Carbonyl 0 0.1 0.1 0.1 0.1

182–176 Acid Carboxyl 0 0 0 0 0

176–165 Ester or Amide Carboxyl 0 0 0.2 0 0

165–143

Alkyl (other than methyl), or 

heteroatom (N, O, S) substituted 

aromatic

2.8 0.2 0.5 0.1 0.6

143–137 Tertiary carbon in alkyl substituted 

aromatic rings 2.2 2.1 5.2 0 4.4

137–131

Tertiary carbon in naphthalene 

units and methyl substituted 

aromatic rings

1.6 1.4 3.0 0 1.7

131–127.5

Protonated and internal aromatic 

carbon, substituted carbon in 

alkenes (R2C=CR2), ortho and 

meta CH in toluene

6.3 6.2 16.3 0.1 16.1

127.5–124

Protonated and internal aromatic 

carbon, substituted carbon in 

alkenes (RHC=CR2), para CH in 

toluene

2.3 2.9 7.3 0 6.0

124–115

Protonated aromatic carbon, 

substituted carbon in alkenes 

(RHC=CR2)

0.2 0 0.1 0 0

115–95 Unsubstituted carbon in alkenes 

(CH2=CR2) 3.0 0.8 0.9 0.1 0.7

70–60 CH2 adjacent to oxygen and C in 

tertiary alcohols 0.2 0 0 0.2 0.0

60–45

CH adjacent to tertiary and 

isopropyl groups. CH3 in ether 

linkage

5.8 12.0 2.2 9.8 1.0

45–40 CH in allylic and benzylic groups 

and in joining tetralin ring 1.8 2.1 1.3 1.5 1.2

40–36 CH2 adjacent to substituted 

double bonds and tertiary carbon 2.0 2.8 1.8 1.2 2.7

36–33.5

CH, CH2 β from secondary carbon 

and in cyclopentyl and cyclohexyl 

rings

3.6 4.4 2.3 1.7 2.5
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Chemical 

Shift Range 

(ppm) 

 Mole % Carbon 

Structure Definition Olefinic E30 Aromatic Alkylate 

High 

Cycloalkane 

33.5–31 CH, CH2 γ from CH3. CH2 α to 

allylic and β to aromatic groups 7.4 6.7 4.4 2.6 3.7

31–28.5

C in open chains. CH2 benzylic and 

CH2 not adjacent to CH in alkyl 

group

22.7 9.0 12.5 38.9 11.2

28.5–26.5

CH, CH2 in open chains. CH2 in 

cyclohexyl groups and CH3 in tertbutyl ether

2.5 2.4 1.5 1.6 1.6

26.5–24.5

Some naphthenic CH2. CH2 β in 

propyl, indan and cyclopentyl 

groups

9.9 5.7 11.8 20.1 23.4

24.5–22 CH2 β from terminal CH3. CH2 β in 

unsubstituted tetralin 8.2 9.0 6.0 12.3 4.9

22–20

CH3 α in hydroaromatics and 

alkyls not shielded by adjacent 

rings or groups

4.5 5.8 10.0 1.9 7.8

20–18

CH3 α in hydroaromatics and 

alkyls shielded by adjacent rings 

or groups

3.5 13.1 3.0 2.1 2.4

18–15 CH3 in cyclohexanes and β in ethyl 

aromatics and ethers 2.0 3.5 2.3 1.8 1.2

15–12.5

CH3 γ to an aromatic ring or 

shielded by two adjacent rings or 

groups, chain α-CH3

5.3 7.2 4.3 1.9 3.7

12.5–5 CH3 γ to aromatic rings or ethyl 

substituted cyclohexanes 2.2 2.6 3.0 1.9 3.1

Detailed Hydrocarbon Analysis

DHA was performed by gas chromatograph-flame ionization detection using ASTM method 

D6729. The summary compound class information is shown in Table 6, and the detailed results 

are presented in Appendix B. 

The aromatic and alkylate fuels used broad mixtures of aromatic and isoparaffinic compounds, 

respectively, for blending. For the high-olefin fuel, the added olefin was a mixture of two 

isomers of di-isobutylene (2,4,4-trimethylpent-1-ene and 2,2,4-trimethyl-3-pentene). As the 

DHA shows, these two molecules constitute 27 percent by weight (wt%) of the fuel. Since the 

total olefin content of the fuel is 32 wt%, only 5 wt% of the fuel is other olefins. Similarly, the 

high-cycloalkane fuel is 20 wt% cyclopentane, while the total cycloalkane content is 24 wt%, so

only 4 wt% is other cycloalkanes.
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Table 6. Detailed hydrocarbon analysis by ASTM D6729, values in wt%

 Olefinic E30 Aromatic Alkylate High 

cycloalkane 

Average molecular 

weight, g/mole 102.9 72.9 96.0 111.0 89.0

Paraffins 9.6 11.1 6.7 2.5 6.9

Iso-paraffins 39.6 25.5 33.9 96.0 28.7

Aromatics 15.1 16.1 45.8 1.0 38.4

Cycloalkanes 2.9 7.2 7.9 0.0 24.0

Olefins 32.1 5.2 41.0 0.1 1.5

Unidentified 0.8 2.9 1.6 0.4 0.5

Oxygenates 0 32.0 0 0 0

Volatility

Distillation

The distillation curve is a critical set of properties for gasoline, related to driveability, lube oil 

dilution, and fine particle formation. The distillation curves for the Core Research Gasolines are 

reported in Figure 1 and Table 7.

Figure 1. Distillation curves (D86) for the Co-Optima Core Research Gasolines
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Table 7. Distillation Data (D86) for the Co-Optima Core Research Gasolines

Volume Percent 

Distilled Olefinic E30 Aromatic Alkylate High cycloalkane 

Temperature, °C

Initial Boiling 

Point

35.7 38.2 34.4 50.3 36.7

5% 64.4 55.4 51.1 86.2 50.6

10% 77.1 60.7 59.4 93.1 55.7

20% 91.1 66.6 72.2 97.4 62.4

30% 97.7 70.2 84.6 98.9 68.9

40% 101.4 72.6 96.8 99.7 76.6

50% 104.3 74.3 108.1 100.3 87.4

60% 107 75.7 116.4 100.9 101.7

70% 110.4 78.6 124 101.6 113.8

80% 116.1 134.2 136.3 102.7 122.7

90% 136.2 155.2 157.9 105.9 142.7

95% 166.1 175.9 172.8 112.3 165.8

Final Boiling Point 197.7 204.1 204.4 161.3 203.5

True Vapor Pressure

The dry vapor pressure equivalent—the modern equivalent of Reid vapor pressure—is the vapor 

pressure at 37.8°C. This measurement is used to control gasoline vapor pressure to limit 

evaporative emissions, to ensure adequate vapor pressure for cold starting and warmup in cold 

weather, and to avoid the potential for vapor lock and similar hot weather driveability problems

[12]. Having a measurement of the actual vapor pressure at engine operating conditions should 

prove to be more informative in terms of revealing the fundamental physical property basis for 

driveability issues. Additionally, for direct injection engines, flash boiling of the spray can occur 

whenever the saturation pressure of the gasoline is higher than the in-cylinder temperature into 

which the gasoline is injected [13]. Results for true vapor pressure measurements for the Core

Research Gasolines are reported in Figure 2 and Table 8.
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.

Figure 2. True vapor pressure as a function of temperature for the Co-Optima Core gasolines

Table 8. True Vapor Pressure at Different Temperatures for the Co-Optima Core Gasolines

Vapor Pressure, psi Vapor Pressure, kPa

Temp, 

°C Olefinic E30 Aromatic Alkylate

High

Cycloalkane Olefinic E30 Aromatic Alkylate

High 

Cycloalkane

-20 1.07 1.09 1.1 0.94 1.14 7.4 7.5 7.6 6.5 7.9

-10 1.68 1.71 1.78 1.38 1.82 11.6 11.8 12.3 9.5 12.5

0 2.27 2.38 2.48 1.77 2.54 15.7 16.4 17.1 12.2 17.5

10 3.06 3.35 3.44 2.28 3.57 21.1 23.1 23.7 15.7 24.6

20 4.1 4.73 4.74 2.98 4.97 28.3 32.6 32.7 20.5 34.3

30 5.48 6.65 6.46 3.93 6.86 37.8 45.9 44.5 27.1 47.3

37.8 6.83 8.64 8.15 4.88 8.74 47.1 59.6 56.2 33.6 60.3

50 9.5 12.83 11.48 6.81 12.5 65.5 88.5 79.2 47.0 86.2

60 12.28 17.55 14.97 8.89 16.48 84.7 121.0 103.2 61.3 113.6

70 15.68 23.69 19.23 11.49 21.37 108.1 163.3 132.6 79.2 147.3

80 19.8 31.53 24.32 14.71 27.32 136.5 217.4 167.7 101.4 188.4

90 24.75 41.6 30.39 18.67 34.46 170.6 286.8 209.5 128.7 237.6

100 30.65 54.21 37.58 23.51 42.99 211.3 373.8 259.1 162.1 296.4

110 37.62 69.88 46.01 29.35 53.02 259.4 481.8 317.2 202.4 365.6

120 45.93 89.28 55.89 36.44 64.96 316.7 615.6 385.4 251.2 447.9

0

100

200

300

400

500

600

700

-20 0 20 40 60 80 100 120

Total pressure, kpa

Temperature, °C

Alkylate

Aromatic

E30

Cycloparaffin

Olefinic
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Summary

Extensive data on the Co-Optima Core Research Gasolines have been developed and are 

reported here. These include basic fuel properties as well as results of DHA and NMR. This 

report may be updated in the future as additional property measurements or simulations become 

available.
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References

1. Vuilleumier, D., and M. Sjöberg. 2017. “Significance of RON, MON, and LTHR for 

Knock Limits of Compositionally Dissimilar Gasoline Fuels in a DISI Engine.” SAE Int. 

J. Engines 10(3):938–950. doi:10.4271/2017-01-0662.

2. Cung, K.D., S.A. Ciatti, S. Tanov, and Ö. Andersson. 2017. “Low-Temperature 

Combustion of High Octane Fuels in a Gasoline Compression Ignition Engine.” Front. 

Mech. Eng. 3:22. doi: 10.3389/fmech.2017.00022

3. Vuilleumier, D., and M. Sjöberg. 2017. “The Use of Transient Operation to Evaluate Fuel 

Effects on Knock Limits Well beyond RON Conditions in Spark-Ignition Engines.” SAE 

Technical Paper 2017-01-2234, doi:10.4271/2017-01-2234

4. Ding, C.P., M. Sjöberg, D. Vuilleumier, D.L. Reuss, X. He, and B. Böhm. 2018. “Fuel 

Film Thickness Measurements Using Refractive Index Matching in a Stratified-Charge SI 

Engine Operated on E30 and Alkylate Fuels.” Exp. Fluids 59: 59. 

https://doi.org/10.1007/s00348-018-2512-5 .

5. Vuilleumier, D., X. Huan, T. Casey, and M. Sjöberg. 2018. “Uncertainty Assessment of 

Octane Index Framework for Stoichiometric Knock Limits of Co-Optima Gasoline Fuel 

Blends.” SAE Technical Paper 2018-01-0217.

6. Szybist, J.P., and D.A. Splitter. 2018. “Understanding Chemistry-Specific Fuel 

Differences at a Constant RON in a Boosted SI Engine.” Fuel 217:370–381. 

https://doi.org/10.1016/j.fuel.2017.12.100.

7. Szybist, J., Wagnon, S., Splitter, D., Pitz, W. et al. 2017. "The Reduced Effectiveness of 

EGR to Mitigate Knock at High Loads in Boosted SI Engines," SAE Int. J. Engines

10(5):2305-2318, doi:10.4271/2017-24-0061. 

8. Aikawa, K., T. Sakurai, and J. Jetter. 2010. “Development of a Predictive Model for 

Gasoline Vehicle Particulate Matter Emissions.” SAE Int. J. Fuels Lubr. 3(2):610–622.

doi:10.4271/2010-01-2115.

9. Ratcliff, M.A., J. Burton, P. Sindler, E. Christensen, G.M. Chupka, L. Fouts, and R.L.

McCormick. 2016. “Knock Resistance and Fine Particle Emissions for Several BiomassDerived Oxygenates in a Direct-Injection Spark-Ignition Engine.” SAE Int. J. Fuels Lubr.

9(1):59–70. doi:10.4271/2016-01-0705.

10. Chupka, G.M., E. Christensen, L. Fouts, T.L. Alleman, M. Ratcliff, R.L. McCormick.

2015. “Heat of Vaporization Measurements for Ethanol Blends up to 50 Volume Percent 

in Several Hydrocarbon Blendstocks and Implications for Knock in SI Engines.” SAE Int. 

J. Fuels Lubr. 8(2):251–263. doi:10.4271/2015-01-0763.

11. McEnally, C., Y. Xuan, P.C. St. John, D.D. Das, A. Jain, S. Kim, T.A. Kwan, L.K. Tan, 

J. Zhu, and L.D. Pfefferle. “Sooting Tendencies of Co-optima Test Gasolines and Their 

Surrogates.” Proceedings of the Combustion Institute to be published.
CO-OPTIMIZATION OF FUELS & ENGINES PROPERTIES OF CO-OPTIMA CORE RESEARCH GASOLINES

13

This report is available at no cost from the National Renewable Energy Laboratory (NREL) at www.nrel.gov/publications.

12. Yanowitz, J., and R.L. McCormick. 2016. “Review: Fuel Volatility Standards and SparkIgnition Vehicle Driveability.” SAE Int. J. Fuels Lubr. 9(2):408-429. doi:10.4271/2016-

01-9072.

13. Zeng, W., M. Xu, G. Zhang, Y. Zhang, and D.J. Cleary. 2012. “Atomization and 

Vaporization for Flash-Boiling Multi-Hole Sprays with Alcohol Fuels.” Fuel 95, 287–

297. https://doi.org/10.1016/j.fuel.2011.08.048

14. Gottlieb, H. E., V. Kotlyar, and A. Nudelman. “NMR Chemical Shifts of Common 

Laboratory Solvents as Trace Impurities.” Journal of Organic Chemistry 1997, 62 (21), 

7512–7515.

15. Algelt, Klaus H., and Mieczyslaw M. Boduszynski, Editors, Composition and Analysis of 

Heavy Petroleum Fractions. [In: Chemical Industries, v. 54, 1994; 54]. Dekker: 1994.
CO-OPTIMIZATION OF FUELS & ENGINES PROPERTIES OF CO-OPTIMA CORE RESEARCH GASOLINES

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Appendix A. NMR Spectroscopy

All 1H NMR and 13C{1H} NMR spectra were acquired at 499.67 and 125.65 MHz, respectively, 

on an Agilent Inova or VNMRS System at 21° – 25°C in 5-mm o.d. NMR tubes, spinning at 20 

Hz. 

Quantitative 13C{1

H} spectra were acquired using a 45° observe pulse; acquisition and relaxation 

delay times of 3 and 5 seconds, respectively, with 1

H Waltz decoupling during the acquisition 

delay period for nuclear Overhauser enhancement suppression; and 0.05 M Cr(acac)3 for T1

reduction and quenching of any residual nuclear Overhauser enhancement, where Cr(acac)3 is 

chromium (III) acetylacetonate. These conditions lead to an average integral uncertainty of about 

±2 percent (in carbon aromaticity). Chemical shifts were referenced to CDCl3 (77.16 ppm) [14]. 

A total of 1,500 to 6,000 scans were collected. Samples consisted of 0.20 mL of fuel diluted to 

1.00 mL in CDCl3 (99.9% D, Cambridge Isotope Laboratories) with 0.05 M Cr(acac)3 (Aldrich). 

Line broadening of 2.5 Hz was used for processing spectra to improve the signal-to-noise ratio.

Quantitative 1H spectra were acquired using a 30° observe pulse with acquisition and relaxation 

delays of 3 and 8 seconds, respectively, for an 11-second recycle time. Samples consisted of 50.0 

μL of fuel in 0.75 mL of 99.96% D CDCl3 with 0.03% (v/v) tetramethylsilane (TMS) purchased 

from Cambridge Isotope Laboratories, Inc. Chemical shifts were referenced to TMS or to 

residual CHCl3 in solvent CDCl3 (7.26 ppm) [14]. Spectra resulted from 128 scans. Line 

broadening was not used. 

NMR spectra were processed using analysis tools from Agilent VNMRJ Version 4.2 software or 

MestReNova Version 8.1.0-11315 software. Spectral range assignments and interpretation of 

NMR results are based on ranges and methods presented by Altgelt and Boduszynski [15].

Proton and 13C NMR spectra for each of the gasolines are shown below, chemical shift ranges 

for specific organic functional groups are specified in Tables 3 and 4 in the main body of this 

report.
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1H NMR Spectrum of the Olefinic Co-Optima Core Research Gasoline

13C{1H} NMR spectrum of the Olefinic Co-Optima Core Research Gasoline
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1H NMR spectrum of the E30 Co-Optima Core Research Gasoline

13C{1H} NMR spectrum of the E30 Co-Optima Core Research Gasoline
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1H NMR spectrum of the Aromatic Co-Optima Core Research Gasoline

13C{1H} NMR spectrum of the Aromatic Co-Optima Core Research Gasoline
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1H NMR spectrum of the Alkylate Co-Optima Core Research Gasoline

13C{1H} NMR spectrum of the Alkylate Co-Optima Core Research Gasoline
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1H NMR spectrum of the High Cycloalkane Co-Optima Core Research Gasoline

13C{1H} NMR spectrum of the High Cycloalkane Co-Optima Core Research Gasoline
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Appendix B. Detailed Hydrocarbon Analysis

Alkylate

Group CASNO Component %Wgt %Vol %Mol

Paraffin 106-97-8 n-Butane 2.417 2.892 4.610

109-66-0 n-Pentane 0.004 0.005 0.006

110-54-3 n-Hexane 0.003 0.003 0.004

111-84-2 n-Nonane 0.073 0.070 0.063

124-18-5 n-Decane 0.023 0.021 0.018

1120-21-4 n-Undecane 0.019 0.017 0.013

112-40-3 n-Dodecane 0.003 0.003 0.002

629-50-5 n-Tridecane 0.001 0.001 0.001

629-59-4 n-Tetradecane 0.002 0.002 0.001

I-Paraffins 463-82-1 2,2-Dimethylpropane 0.005 0.006 0.008

78-78-4 i-Pentane 1.204 1.345 1.849

79-29-8 2,3-Dimethylbutane 1.019 1.067 1.311

107-83-5 2-Methylpentane 0.295 0.313 0.380

96-14-0 3-Methylpentane 0.152 0.159 0.196

108-08-7 2,4-Dimethylpentane 0.876 0.902 0.969

464-06-2 2,2,3-Trimethylbutane 0.064 0.064 0.071

591-76-4 2-Methylhexane 0.597 0.610 0.661

589-34-4 3-Methylhexane 0.063 0.064 0.070

540-84-1 2,2,4-Trimethylpentane 75.561 75.632 73.330

590-73-8 2,2-Dimethylhexane 0.954 0.950 0.926

564-02-3 2,2,3-Trimethylpentane 1.258 1.217 1.221

592-13-2 2,5-Dimethylhexane 1.080 1.078 1.048

589-43-5 2,4-Dimethylhexane 0.944 0.934 0.916

563-16-6 3,3-Dimethylhexane 0.006 0.006 0.006

565-75-3 2,3,4-Trimethylpentane 3.970 3.824 3.853

560-21-4 2,3,3-Trimethylpentane 4.016 3.830 3.897

584-94-1 2,3-Dimethylhexane 0.809 0.787 0.785

592-27-8 2-Methylheptane 0.031 0.031 0.030

589-53-7 4-Methylheptane 0.080 0.078 0.077

583-48-2 3,4-Dimethylhexane 0.080 0.077 0.078

589-81-1 3-Methylheptane 0.024 0.024 0.023

3522-94-9 2,2,5-Trimethylhexane 1.249 1.223 1.080

C9-Isoparaffin-x 0.031 0.029 0.027

1069-53-0 2,3,5-Trimethylhexane 0.178 0.171 0.154

1071-26-7 2,4-Dimethylheptane 0.021 0.021 0.018

1072-05-5 2,6-Dimethylheptane 0.033 0.032 0.028

2,5-Dimethylheptane 0.079 0.076 0.068

3221-61-2 2-Methyloctane 0.002 0.002 0.001

C10 - IsoParaffin - 1 0.167 0.159 0.130

14720-74-2 2,2,4-trimethylheptane 0.113 0.108 0.088

C10-isoparaffin-x 0.000 0.000 0.000

2,3-Dimethyloctane 0.047 0.045 0.037

15869-87-1 2,2-Dimethyloctane 0.012 0.011 0.009

15869-89-3 2,5-Dimethyloctane 0.008 0.008 0.006

2040-95-1 2,7-Dimethyloctane 0.003 0.003 0.003

2051-30-1 2,4-Dimethyloctane 0.021 0.020 0.016
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Alkylate (cont.)

Group CASNO Component %Wgt %Vol %Mol

I-Paraffins 2,6-Dimethyloctane 0.007 0.007 0.006

2,2,6-Trimethyloctane 0.263 0.251 0.205

C11-Isoparaffin-1 0.019 0.017 0.013

C10 - IsoParaffin - 5 0.037 0.035 0.028

62016-30-4 2,3,3-trimethyloctane 0.039 0.036 0.027

C11-Isoparaffin-3 0.013 0.012 0.009

C11 Isoparaffin-4 0.005 0.005 0.003

2,5,6-Trimethyloctane 0.233 0.217 0.165

C11-Isoparaffin-7 0.079 0.073 0.056

C11-Isoparaffin-9 0.024 0.022 0.017

C11- Isoparaffin-10 0.027 0.025 0.019

C11- Isoparaffin-11 0.129 0.120 0.091

C11- Isoparaffin - 12 0.061 0.057 0.043

C12 - IsoParaffin - 1 0.010 0.009 0.007

C12 - IsoParaffin - 2 0.007 0.007 0.005

C12 - IsoParaffin - 4 0.006 0.006 0.004

Aromatics

Mono-Aromatics 108-38-3 m-Xylene 0.004 0.003 0.004

106-42-3 p-Xylene 0.024 0.019 0.025

95-47-6 o-Xylene 0.014 0.011 0.015

103-65-1 n-Propylbenzene 0.004 0.003 0.003

620-14-4 1-Methyl-3-ethylbenzene 0.003 0.002 0.003

95-63-6 1,2,4-Trimethylbenzene 0.023 0.018 0.021

538-93-2 i-Butylbenzene 0.014 0.011 0.011

526-73-8 1,2,3-Trimethylbenzene 0.002 0.002 0.002

535-77-3 1-Methyl-3-i-propylbenzene 0.002 0.002 0.002

99-87-6 1-Methyl-4-i-propylbenzene 0.033 0.027 0.027

1074-43-7 1-Methyl-3-n-propylbenzene 0.187 0.151 0.155

135-01-3 1,2-Diethylbenzene 0.019 0.015 0.016

1074-17-5 1-Methyl-2-n-propylbenzene 0.028 0.022 0.023

874-41-9 1,3-Dimethyl-4-ethylbenzene 0.157 0.124 0.130

934-80-5 1,2-Dimethyl-4-ethylbenzene 0.018 0.014 0.015

2870-04-4 1,3-Dimethyl-2-ethylbenzene 0.175 0.136 0.145

1-Ethyl-3-i-propylbenzene 0.036 0.028 0.027

4218-48-8 1-Ethyl-4-i-propylbenzene 0.026 0.020 0.019

1,2,4,5-Tetramethylbenzene 0.009 0.007 0.007

527-53-7 1,2,3,5-Tetramethylbenzene 0.004 0.003 0.003

C11 - Aromatic - 2 0.004 0.003 0.003

C11 - Aromatic - 3 0.028 0.022 0.021

1,2-Di-i-propylbenzene 0.003 0.002 0.002

1595-16-0 1-methyl-4-(1-methylpropyl)be 0.003 0.002 0.002

5161-04-6 Benzene, 1-methyl-4-(2-methylp 0.005 0.004 0.004

538-68-1 n-Pentylbenzene 0.001 0.001 0.001

577-55-9 1-Methyl-2-n-butylbenzene 0.005 0.004 0.004

C11 - Aromatic - 7 0.007 0.006 0.005

C11 - Aromatic - 11 0.002 0.001 0.001
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Alkylate (cont.)

Group

Mono-Aromatics 

CASNO Component

C12 - Aromatic - 1

%Wgt

0.004

%Vol

0.003

%Mol

0.003

C12 - Aromatic - 10 0.004 0.003 0.003

877-44-1 1,2,4-Triethylbenzene 0.009 0.007 0.006

C12 - Aromatic - 11(1) 0.002 0.001 0.001

1-Methyl-3-Hexylbenzene 0.013 0.010 0.008

Naphthalenes 91-20-3 Naphthalene 0.020 0.014 0.017

3877-19-8 Naphthalene, 1,2,3,4-tetrahydr 0.003 0.002 0.002

91-57-6 2-Methylnaphthalene 0.004 0.003 0.003

90-12-0 1-Methylnaphthalene 0.001 0.000 0.000

Naphtheno/Olefin Indan 0.006 0.005 0.006

2-Methylindan 0.023 0.017 0.020

874-35-1 5-Methylindan 0.003 0.002 0.002

824-22-6 4-Methylindan 0.002 0.002 0.002

824-63-5 2-Methylindan(1) 0.003 0.002 0.003

4,7-Dimethyl Indane 0.006 0.004 0.004

1,1-Dimethyl Indane 0.001 0.001 0.001

Dimethyl Indane - 1 0.004 0.003 0.003

Dimethyl Indane - 4 0.003 0.002 0.002

Trimethyl Indane - 4 0.003 0.002 0.002

Indenes

Naphthenes

Di/Bicyclo-Napht

Di-Olefins

Mono-Naphthene 7667-60-9 1c,2t,4t-Trimethylcyclohexane 0.009 0.008 0.008

4926-90-3 1,1-Methylethylcyclohexane 0.002 0.002 0.002

696-29-7 1-Methyl-2-propyl-cyclopentan 0.001 0.001 0.001

C10 - MonoNaph - 2 0.004 0.003 0.003

Olefins

n-Olefins 693-61-8 2-Undecene, (E)- 0.018 0.017 0.014

5-Undecene 0.036 0.034 0.029

Iso-Olefins C8 - IsoOlefin - 7 0.012 0.010 0.011

19549-87-2 2,4-Dimethylheptene-1 0.004 0.004 0.003

C9-IsoOlefin-3 0.004 0.004 0.004

C10-IsoOlefin-4 0.001 0.001 0.001

Naphtheno-Olefin C9 Naph-Olefin -1 0.014 0.013 0.013

Oxygenates

Unidentified Unidentified 0.000 0.000 0.000

Unidentified 0.031 0.039 0.060

Unidentified 0.053 0.042 0.056

Unidentified 0.004 0.003 0.003
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Alkylate (cont.)

Group CASNO Component %Wgt %Vol %Mol

Unidentified Unidentified 0.006 0.005 0.006

Unidentified 0.046 0.043 0.033

Unidentified 0.013 0.010 0.012

Unidentified 0.019 0.018 0.015

Unidentified 0.001 0.001 0.001

Unidentified 0.004 0.003 0.004

Unidentified 0.048 0.039 0.040

Unidentified 0.020 0.019 0.014

Unidentified 0.008 0.007 0.006

Unidentified 0.018 0.014 0.014

Unidentified 0.003 0.002 0.002

Unidentified 0.008 0.006 0.007

Unidentified 0.013 0.012 0.008

Unidentified 0.010 0.008 0.007

Unidentified 0.030 0.028 0.020

Unidentified 0.005 0.003 0.004

Unidentified 0.001 0.000 0.000

Unidentified 0.003 0.002 0.002

Unidentified 0.004 0.003 0.003

Unidentified 0.002 0.002 0.001

Unidentified 0.008 0.007 0.004

Unidentified 0.003 0.002 0.002

Unidentified 0.008 0.007 0.004

Unidentified 0.003 0.002 0.002

Unidentified 0.002 0.002 0.001

Unidentified 0.004 0.003 0.002

Unidentified 0.006 0.004 0.004

Unidentified 0.001 0.001 0.001
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Aromatics

Group CASNO Component %Wgt %Vol %Mol

Paraffin 106-97-8 n-Butane 3.178 4.156 5.229

109-66-0 n-Pentane 1.697 2.051 2.249

110-54-3 n-Hexane 0.827 0.950 0.918

142-82-5 n-Heptane 0.008 0.009 0.008

111-65-9 n-Octane 0.226 0.243 0.189

111-84-2 n-Nonane 0.281 0.297 0.210

124-18-5 n-Decane 0.174 0.180 0.117

1120-21-4 n-Undecane 0.215 0.219 0.132

112-40-3 n-Dodecane 0.040 0.040 0.022

629-62-9 n-Pentadecane 0.014 0.014 0.006

I-Paraffins 463-82-1 2,2-Dimethylpropane 0.008 0.010 0.011

78-78-4 i-Pentane 6.615 8.081 8.770

75-83-2 2,2-Dimethylbutane 2.806 3.272 3.115

79-29-8 2,3-Dimethylbutane 0.876 1.003 0.973

107-83-5 2-Methylpentane 0.692 0.801 0.768

96-14-0 3-Methylpentane 0.539 0.614 0.599

108-08-7 2,4-Dimethylpentane 0.748 0.842 0.714

464-06-2 2,2,3-Trimethylbutane 0.055 0.060 0.052

562-49-2 3,3-Dimethylpentane 0.033 0.036 0.032

591-76-4 2-Methylhexane 0.685 0.764 0.654

589-34-4 3-Methylhexane 0.184 0.203 0.175

540-84-1 2,2,4-Trimethylpentane 11.429 12.502 9.570

590-73-8 2,2-Dimethylhexane 0.071 0.077 0.059

564-02-3 2,2,3-Trimethylpentane 0.501 0.529 0.419

592-13-2 2,5-Dimethylhexane 0.884 0.965 0.740

589-43-5 2,4-Dimethylhexane 0.759 0.820 0.635

565-75-3 2,3,4-Trimethylpentane 2.626 2.765 2.199

584-94-1 2,3-Dimethylhexane 0.674 0.717 0.565

592-27-8 2-Methylheptane 0.067 0.073 0.056

589-53-7 4-Methylheptane 0.081 0.087 0.067

583-48-2 3,4-Dimethylhexane 0.066 0.070 0.056

589-81-1 3-Methylheptane 0.054 0.058 0.045

619-99-8 3-Ethylhexane 0.048 0.051 0.040

3522-94-9 2,2,5-Trimethylhexane 1.033 1.106 0.770

C9-Isoparaffin-x 0.035 0.036 0.026

1069-53-0 2,3,5-Trimethylhexane 0.154 0.162 0.115

1071-26-7 2,4-Dimethylheptane 0.035 0.037 0.026

1072-05-5 2,6-Dimethylheptane 0.073 0.078 0.055

2,5-Dimethylheptane 0.101 0.107 0.076

3,5-Dimethylheptane 0.009 0.010 0.007

2216-34-4 4-Methyloctane 0.055 0.058 0.041

3221-61-2 2-Methyloctane 0.069 0.073 0.051

15869-80-4 Heptane, 3-ethyl- 0.015 0.016 0.011

2216-33-3 3-Methyloctane 0.138 0.145 0.103

C10 - IsoParaffin - 1 0.165 0.172 0.111

14720-74-2 2,2,4-trimethylheptane 0.133 0.138 0.089
CO-OPTIMIZATION OF FUELS & ENGINES PROPERTIES OF CO-OPTIMA CORE RESEARCH GASOLINES

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This report is available at no cost from the National Renewable Energy Laboratory (NREL) at www.nrel.gov/publications.

Aromatics (cont.)

Group CASNO Component %Wgt %Vol %Mol

I-Paraffins C10-isoparaffin-x 0.000 0.000 0.000

2,3-Dimethyloctane 0.051 0.053 0.034

15869-87-1 2,2-Dimethyloctane 0.018 0.018 0.012

15869-89-3 2,5-Dimethyloctane 0.023 0.024 0.016

2040-95-1 2,7-Dimethyloctane 0.012 0.013 0.008

2051-30-1 2,4-Dimethyloctane 0.028 0.030 0.019

2,6-Dimethyloctane 0.042 0.043 0.028

3-Methyl-5-ethylheptane 0.019 0.020 0.013

15869-85-9 5-Methylnonane 0.019 0.020 0.013

17301-94-8 4-Methylnonane 0.043 0.044 0.029

2,2,6-Trimethyloctane 0.245 0.256 0.165

5881-17-4 3-Ethyloctane 0.009 0.009 0.006

5911-04-6 3-Methylnonane 0.039 0.041 0.026

61868-42-6 Heptane, 2,2,3,5-tetramethyl- 0.021 0.016 0.013

C11-Isoparaffin-1 0.045 0.046 0.027

C11-Isoparaffin-2 0.024 0.024 0.015

C10 - IsoParaffin - 5 0.026 0.026 0.017

62016-30-4 2,3,3-trimethyloctane 0.033 0.033 0.020

C11-Isoparaffin-3 0.010 0.010 0.006

C11 Isoparaffin-4 0.010 0.011 0.006

C11-Isoparaffin-5 0.033 0.034 0.020

2,5,6-Trimethyloctane 0.204 0.208 0.125

C11-Isoparaffin-7 0.079 0.081 0.048

C11-Isoparaffin-8 0.008 0.008 0.005

C11-Isoparaffin-9 0.029 0.030 0.018

C11- Isoparaffin-10 0.023 0.024 0.014

C11- Isoparaffin-11 0.122 0.124 0.075

C11- Isoparaffin - 12 0.052 0.053 0.032

C11- IsoParaffin - 13 0.017 0.017 0.010

C12 - Isoparaffin - 1 0.039 0.039 0.022

C12 - Isoparaffin - 2 0.050 0.051 0.028

C12 - Isoparaffin - 3 0.015 0.015 0.008

C12 - Isoparaffin - 4 0.028 0.028 0.015

C14 - Isoparaffin-1 0.006 0.006 0.003

Aromatics

Mono-Aromatics 71-42-3 Benzene 0.708 0.610 0.867

108-88-3 Toluene 19.341 16.884 20.076

100-41-4 Ethylbenzene 2.081 1.817 1.875

108-38-3 m-Xylene 5.462 4.784 4.921

106-42-3 p-Xylene 2.350 2.066 2.117

95-47-6 o-Xylene 1.973 1.697 1.778

98-82-8 i-Propylbenzene 0.043 0.038 0.034

103-65-1 n-Propylbenzene 0.499 0.438 0.397

620-14-4 1-Methyl-3-ethylbenzene 1.921 1.681 1.528

622-96-8 1-Methyl-4-ethylbenzene 0.885 0.778 0.704

108-67-8 1,3,5-Trimethylbenzene 1.059 0.927 0.843
CO-OPTIMIZATION OF FUELS & ENGINES PROPERTIES OF CO-OPTIMA CORE RESEARCH GASOLINES

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This report is available at no cost from the National Renewable Energy Laboratory (NREL) at www.nrel.gov/publications.

Aromatics (cont.)

Group CASNO Component %Wgt %Vol %Mol

Mono-Aromatics 611-14-3 1-Methyl-2-ethylbenzene 0.625 0.537 0.497

95-63-6 1,2,4-Trimethylbenzene 3.114 2.691 2.478

538-93-2 i-Butylbenzene 0.075 0.067 0.053

526-73-8 1,2,3-Trimethylbenzene 0.560 0.474 0.445

535-77-3 1-Methyl-3-i-propylbenzene 0.019 0.016 0.013

99-87-6 1-Methyl-4-i-propylbenzene 0.028 0.025 0.020

141-93-5 1,3-Diethylbenzene 0.099 0.086 0.070

1074-43-7 1-Methyl-3-n-propylbenzene 0.408 0.359 0.291

105-05-5 1,4-Diethylbenzene 0.215 0.189 0.153

934-74-7 1,3-Dimethyl-5-ethylbenzene 0.234 0.201 0.167

135-01-3 1,2-Diethylbenzene 0.038 0.033 0.027

1074-17-5 1-Methyl-2-n-propylbenzene 0.073 0.063 0.052

1758-88-9 1,4,Dimethyl-2-ethylbenzene 0.133 0.114 0.094

874-41-9 1,3-Dimethyl-4-ethylbenzene 0.144 0.124 0.102

934-80-5 1,2-Dimethyl-4-ethylbenzene 0.340 0.295 0.243

2870-04-4 1,3-Dimethyl-2-ethylbenzene 0.192 0.163 0.137

1-Methyl-4-t-butylbenzene 0.043 0.038 0.028

933-98-2 1,2-Dimethyl-3-ethylbenzene 0.151 0.128 0.107

4218-48-8 1-Ethyl-4-i-propylbenzene 0.085 0.072 0.055

1,2,4,5-Tetramethylbenzene 0.290 0.248 0.207

527-53-7 1,2,3,5-Tetramethylbenzene 0.379 0.322 0.270

C11 - Aromatic - 2 0.010 0.008 0.006

C11 - Aromatic - 3 0.081 0.069 0.052

1,2-Di-i-propylbenzene 0.052 0.045 0.031

1595-16-0 1-methyl-4-(1-methylpropyl)be 0.098 0.084 0.063

C11 - Aromatic - 4 0.068 0.058 0.044

538-68-1 n-Pentylbenzene 0.023 0.019 0.015

tert-Pentylbenzene 0.084 0.072 0.054

577-55-9 1-Methyl-2-n-butylbenzene 0.028 0.024 0.018

C11 - Aromatic - 7 0.051 0.046 0.033

100-18-5 1,4-Di-i-propylbenzene 0.053 0.045 0.031

C12-Aromatic-1 0.010 0.009 0.006

C11 - Aromatic - 10 0.012 0.011 0.008

1,3-Di-n-propylbenzene 0.027 0.023 0.016

C11 - Aromatic - 11 0.010 0.009 0.007

C11 - Aromatic - 12 0.007 0.007 0.005

C11 - Aromatic - 13 0.004 0.004 0.003

C11 - Aromatic - 14 0.005 0.004 0.003

C12 - Aromatic - 1 0.012 0.010 0.007

C12 - Aromatic - 11 0.006 0.005 0.003

877-44-1 1,2,4-Triethylbenzene 0.012 0.011 0.007

700-12-9 Pentamethylbenzene 0.042 0.032 0.027

1-Methyl-3-Hexylbenzene 0.006 0.005 0.003

C13 - Aromatic - 2 0.006 0.005 0.003

Naphthalenes 91-20-3 Naphthalene 0.144 0.106 0.107

91-57-6 2-Methylnaphthalene 0.273 0.202 0.182
CO-OPTIMIZATION OF FUELS & ENGINES PROPERTIES OF CO-OPTIMA CORE RESEARCH GASOLINES

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Aromatics (cont.)

Group CASNO Component %Wgt %Vol %Mol

Naphthalenes 90-12-0 1-Methylnaphthalene 0.133 0.098 0.089

Dimethylnaphthalene-3 0.022 0.018 0.014

Dimethylnaphthalene-4 0.022 0.017 0.014

Dimethylnaphthalene-5 0.055 0.043 0.034

Dimethylnaphthalene - 6 0.026 0.020 0.016

Dimethylnaphthalene-5(1) 0.019 0.015 0.012

Dimethylnaphthalene-6 0.013 0.010 0.008

Naphtheno/Olefin Indan 0.211 0.166 0.171

2-Methylindan 0.044 0.034 0.032

874-35-1 5-Methylindan 0.146 0.124 0.105

824-22-6 4-Methylindan 0.182 0.154 0.131

824-63-5 2-Methylindan(1) 0.152 0.129 0.110

1,1-Dimethyl Indane 0.010 0.008 0.007

Dimethyl Indane - 1 0.005 0.004 0.003

C2 Indane - 1 0.006 0.005 0.004

4,7-DimethylIndane 0.021 0.017 0.014

Dimethyl Indane - 3 0.014 0.011 0.009

Dimethyl Indane - 4 0.006 0.005 0.004

C3 Indane - 6 0.026 0.021 0.016

Indenes

Naphthenes

Mono-Naphthene 287-92-3 Cyclopentane 6.796 6.901 9.268

96-37-7 Methylcyclopentane 0.361 0.365 0.410

110-82-7 Cyclohexane 0.040 0.039 0.045

1759-58-6 1t,3-Dimethylcyclopentane 0.009 0.009 0.009

2532-58-3 1c,3-Dimethylcyclopentane 0.008 0.008 0.008

822-50-4 1t,2-Dimethylcyclopentane 0.018 0.018 0.017

108-87-2 Methylcyclohexane 0.020 0.020 0.020

4850-28-6 1c,2t,4-Trimethylcyclopentane 0.007 0.007 0.006

15890-40-1 1t,2c,3-Trimethylcyclopentane 0.008 0.008 0.007

1,3-dimethyl-t-cyclohexane 0.119 0.117 0.102

3c-Ethylmethylcyclopentane 0.029 0.029 0.025

2207-01-4 1c,2-Dimethylcyclohexane 0.028 0.027 0.024

1678-91-7 Ethylcyclohexane 0.153 0.148 0.131

7094-27-1 1,1,4-Trimethylcyclohexane 0.010 0.010 0.008

3073-66-3 1,1,3-Trimethylcyclohexane 0.018 0.017 0.014

C9 - MonoNaph - 4 0.022 0.022 0.017

3728-57-2 Cyclopentane, 1-methyl-2-propy 0.039 0.034 0.036

trans-1,3-Diethylcyclopentane 0.078 0.067 0.059

4926-90-3 1,1-Methylethylcyclohexane 0.043 0.040 0.032

1-ethyl-4-t-methylcyclohexane 0.011 0.010 0.008

696-29-7 1-Methyl-2-propyl-cyclopentan 0.003 0.002 0.002

1,2,3,5-t-Tetramethylcyclohex 0.027 0.026 0.020

1678-98-4 i-Butylcyclohexane 0.017 0.016 0.011

n-ButylCyclohexane 0.014 0.013 0.010
CO-OPTIMIZATION OF FUELS & ENGINES PROPERTIES OF CO-OPTIMA CORE RESEARCH GASOLINES

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This report is available at no cost from the National Renewable Energy Laboratory (NREL) at www.nrel.gov/publications.

Aromatics (cont.)

Group CASNO Component %Wgt %Vol %Mol

Mono-Naphthene 

Di/Bicyclo-Napht

Olefins

Di-Olefins

n-Olefins 592-41-6 Hexene-1 3.572 3.988 4.059

4050-45-7 t-Hexene-2 0.008 0.009 0.009

C9-isoolefin 0.059 0.066 0.045

20063-92-7 t-Nonene-3 0.013 0.015 0.010

C10-n-Olefin 0.009 0.009 0.006

693-61-8 2-Undecene, (E)- 0.027 0.027 0.018

5-Undecene 0.034 0.035 0.023

Iso-Olefins 625-27-4 2-Methylpentene-2 0.003 0.003 0.003

922-62-3 3-Methyl-c-pentene-2 0.004 0.004 0.004

C8 - Diolefin - 1 0.004 0.004 0.003

C8 - IsoOlefin - 7 0.011 0.010 0.009

4485-16-9 3-Heptene, 4-methyl- 0.067 0.066 0.057

C8 - IsoOlefin - 10 0.004 0.004 0.003

C9 - IsoOlefin - 1 0.004 0.003 0.003

33933-74-4 3-Heptene, 4-ethyl- 0.005 0.005 0.004

19549-87-2 2,4-Dimethylheptene-1 0.011 0.012 0.008

16993-86-4 2-Methyloctene-2 0.007 0.008 0.005

3074-64-4 2,3-Dimethylheptene-2 0.004 0.005 0.003

C10-IsoOlefin-4 0.003 0.003 0.002

C10 Iso-olefin - 5 0.016 0.018 0.011

C10 Iso-olefin - 6 0.003 0.003 0.002

C10-IsoOlefin-7 0.010 0.011 0.007

C10-IsoOlefin-12 0.010 0.011 0.007

69405-42-1 3-Nonene, 3-methyl-, (E)- 0.002 0.003 0.002

Naphtheno-Olefin 1068-19-5 1-Ethyl-2-Methylcyclopentene 0.077 0.080 0.067

C9 Naph-Olefin -1 0.118 0.122 0.091

C9 - NaphOlefin - 2 0.014 0.015 0.011

C9-NaphthenoOlefin-6 0.000 0.000 0.000

Oxygenates

Unidentified Unidentified 0.000 0.001 0.001

Unidentified 0.030 0.041 0.050

Unidentified 0.006 0.006 0.010

Unidentified 0.003 0.003 0.003

Unidentified 0.080 0.084 0.077

Unidentified 0.018 0.018 0.015

Unidentified 0.010 0.010 0.009

Unidentified 0.877 0.865 0.747

Unidentified 0.005 0.005 0.004

Unidentified 0.009 0.009 0.007

Unidentified 0.010 0.011 0.007
CO-OPTIMIZATION OF FUELS & ENGINES PROPERTIES OF CO-OPTIMA CORE RESEARCH GASOLINES

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This report is available at no cost from the National Renewable Energy Laboratory (NREL) at www.nrel.gov/publications.

Aromatics (cont.)

Group CASNO Component %Wgt %Vol %Mol

Unidentified Unidentified 0.009 0.010 0.007

Unidentified 0.016 0.016 0.012

Unidentified 0.033 0.034 0.024

Unidentified 0.008 0.008 0.005

Unidentified 0.004 0.004 0.003

Unidentified 0.004 0.004 0.003

Unidentified 0.004 0.003 0.003

Unidentified 0.003 0.003 0.002

Unidentified 0.006 0.006 0.004

Unidentified 0.003 0.003 0.002

Unidentified 0.030 0.026 0.024

Unidentified 0.130 0.112 0.093

Unidentified 0.008 0.008 0.005

Unidentified 0.032 0.029 0.020

Unidentified 0.044 0.038 0.032

Unidentified 0.019 0.016 0.012

Unidentified 0.010 0.010 0.006

Unidentified 0.014 0.014 0.008

Unidentified 0.022 0.023 0.013

Unidentified 0.004 0.004 0.002

Unidentified 0.001 0.001 0.001

Unidentified 0.003 0.002 0.002

Unidentified 0.004 0.004 0.002

Unidentified 0.003 0.002 0.002

Unidentified 0.005 0.005 0.003

Unidentified 0.007 0.007 0.004

Unidentified 0.019 0.019 0.009

Unidentified 0.002 0.002 0.001

Unidentified 0.003 0.003 0.001

Unidentified 0.004 0.004 0.002

Unidentified 0.004 0.003 0.002

Unidentified 0.013 0.014 0.007

Unidentified 0.003 0.003 0.002

Unidentified 0.009 0.009 0.004

Unidentified 0.007 0.007 0.003

Unidentified 0.004 0.004 0.002

Unidentified 0.004 0.004 0.002

Unidentified 0.012 0.012 0.006

Unidentified 0.010 0.010 0.005

Unidentified 0.002 0.002 0.001

Unidentified 0.006 0.006 0.003

Unidentified 0.006 0.006 0.003

Unidentified 0.005 0.005 0.002

Unidentified 0.002 0.002 0.001

Unidentified 0.006 0.006 0.003

Unidentified 0.005 0.005 0.002

Unidentified 0.010 0.010 0.004

Unidentified 0.005 0.005 0.002

Unidentified 0.007 0.007 0.003
CO-OPTIMIZATION OF FUELS & ENGINES PROPERTIES OF CO-OPTIMA CORE RESEARCH GASOLINES

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This report is available at no cost from the National Renewable Energy Laboratory (NREL) at www.nrel.gov/publications.

Cycloalkane

Group CASNO Component %Wgt %Vol %Mol

Paraffin 106-97-8 n-Butane 2.638 3.437 4.060

109-66-0 n-Pentane 0.830 0.999 1.028

110-54-3 n-Hexane 2.066 2.363 2.145

142-82-5 n-Heptane 0.066 0.073 0.059

111-65-9 n-Octane 0.463 0.497 0.362

111-84-2 n-Nonane 0.674 0.708 0.470

124-18-5 n-Decane 0.140 0.144 0.088

1120-21-4 n-Undecane 0.045 0.045 0.025

112-40-3 n-Dodecane 0.003 0.003 0.001

I-Paraffins 75-28-5 i-Butane 0.023 0.032 0.036

78-78-4 i-Pentane 4.100 4.989 5.082

75-83-2 2,2-Dimethylbutane 8.515 9.892 8.838

79-29-8 2,3-Dimethylbutane 0.597 0.680 0.619

107-83-5 2-Methylpentane 0.927 1.070 0.962

96-14-0 3-Methylpentane 0.935 1.061 0.970

108-08-7 2,4-Dimethylpentane 0.606 0.680 0.541

464-06-2 2,2,3-Trimethylbutane 0.045 0.049 0.040

562-49-2 3,3-Dimethylpentane 0.072 0.078 0.064

591-76-4 2-Methylhexane 0.936 1.040 0.835

589-34-4 3-Methylhexane 0.430 0.472 0.384

617-78-7 3-Ethylpentane 0.024 0.026 0.021

540-84-1 2,2,4-Trimethylpentane 4.010 4.371 3.140

564-02-3 2,2,3-Trimethylpentane 0.288 0.303 0.226

592-13-2 2,5-Dimethylhexane 0.561 0.610 0.440

589-43-5 2,4-Dimethylhexane 0.484 0.522 0.379

563-16-6 3,3-Dimethylhexane 0.005 0.005 0.004

565-75-3 2,3,4-Trimethylpentane 1.648 1.728 1.291

584-94-1 2,3-Dimethylhexane 0.455 0.482 0.357

592-27-8 2-Methylheptane 0.178 0.192 0.139

589-53-7 4-Methylheptane 0.097 0.104 0.076

583-48-2 3,4-Dimethylhexane 0.044 0.046 0.035

589-81-1 3-Methylheptane 0.133 0.143 0.105

619-99-8 3-Ethylhexane 0.152 0.160 0.119

3522-94-9 2,2,5-Trimethylhexane 0.677 0.722 0.472

C9-Isoparaffin-x 0.029 0.029 0.020

1069-53-0 2,3,5-Trimethylhexane 0.116 0.121 0.081

1071-26-7 2,4-Dimethylheptane 0.074 0.078 0.052

1072-05-5 2,6-Dimethylheptane 0.178 0.189 0.124

2,5-Dimethylheptane 0.170 0.179 0.118

3,5-Dimethylheptane 0.033 0.034 0.023

2216-32-2 4-Ethylheptane 0.051 0.053 0.035

2216-34-4 4-Methyloctane 0.170 0.178 0.119

3221-61-2 2-Methyloctane 0.207 0.218 0.144

2216-33-3 3-Methyloctane 0.428 0.448 0.298

C10 - IsoParaffin - 1 0.103 0.107 0.065

14720-74-2 2,2,4-trimethylheptane 0.172 0.179 0.108
CO-OPTIMIZATION OF FUELS & ENGINES PROPERTIES OF CO-OPTIMA CORE RESEARCH GASOLINES

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This report is available at no cost from the National Renewable Energy Laboratory (NREL) at www.nrel.gov/publications.

Cycloalkane (cont.)

Group CASNO Component %Wgt %Vol %Mol

I-Paraffins C10-isoparaffin-x 0.000 0.000 0.000

2,3-Dimethyloctane 0.054 0.057 0.034

15869-87-1 2,2-Dimethyloctane 0.022 0.023 0.014

15869-89-3 2,5-Dimethyloctane 0.029 0.030 0.018

2040-95-1 2,7-Dimethyloctane 0.011 0.012 0.007

2051-30-1 2,4-Dimethyloctane 0.033 0.034 0.021

2,6-Dimethyloctane 0.040 0.041 0.025

3-Methyl-5-ethylheptane 0.023 0.024 0.015

15869-85-9 5-Methylnonane 0.017 0.017 0.010

17301-94-8 4-Methylnonane 0.037 0.038 0.023

2,2,6-Trimethyloctane 0.156 0.162 0.098

5881-17-4 3-Ethyloctane 0.008 0.009 0.005

5911-04-6 3-Methylnonane 0.030 0.031 0.019

C11-Isoparaffin-1 0.051 0.051 0.029

C11-Isoparaffin-2 0.017 0.017 0.010

C10 - IsoParaffin - 5 0.023 0.024 0.015

62016-30-4 2,3,3-trimethyloctane 0.026 0.026 0.015

C11-Isoparaffin-3 0.008 0.009 0.005

C11 Isoparaffin-4 0.009 0.009 0.005

C11-Isoparaffin-5 0.040 0.041 0.023

2,5,6-Trimethyloctane 0.128 0.130 0.073

C11-Isoparaffin-7 0.055 0.056 0.032

C11-Isoparaffin-8 0.005 0.005 0.003

C11-Isoparaffin-9 0.018 0.018 0.010

C11- Isoparaffin-11 0.076 0.077 0.043

C11- Isoparaffin - 12 0.031 0.031 0.018

C11- IsoParaffin - 13 0.007 0.007 0.004

C12 - IsoParaffin - 1 0.008 0.008 0.004

C12 - IsoParaffin - 2 0.023 0.024 0.012

C12 - IsoParaffin - 4 0.007 0.007 0.003

C14-Isoparaffin-1 0.003 0.003 0.001

Aromatics

Mono-Aromatics 71-42-3 Benzene 0.004 0.003 0.005

108-88-3 Toluene 24.436 21.252 23.720

100-41-4 Ethylbenzene 1.017 0.885 0.857

108-38-3 m-Xylene 2.545 2.221 2.144

106-42-3 p-Xylene 1.247 1.092 1.051

95-47-6 o-Xylene 1.078 0.923 0.908

98-82-8 i-Propylbenzene 0.015 0.013 0.011

103-65-1 n-Propylbenzene 0.177 0.154 0.131

620-14-4 1-Methyl-3-ethylbenzene 0.652 0.569 0.485

622-96-8 1-Methyl-4-ethylbenzene 0.310 0.271 0.230

108-67-8 1,3,5-Trimethylbenzene 0.389 0.339 0.290

611-14-3 1-Methyl-2-ethylbenzene 0.230 0.197 0.171

95-63-6 1,2,4-Trimethylbenzene 1.134 0.976 0.844

538-93-2 i-Butylbenzene 0.040 0.036 0.027
CO-OPTIMIZATION OF FUELS & ENGINES PROPERTIES OF CO-OPTIMA CORE RESEARCH GASOLINES

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This report is available at no cost from the National Renewable Energy Laboratory (NREL) at www.nrel.gov/publications.

Cycloalkane (cont.)

Group CASNO Component %Wgt %Vol %Mol

Mono-Aromatics 526-73-8 1,2,3-Trimethylbenzene 0.215 0.181 0.160

535-77-3 1-Methyl-3-i-propylbenzene 0.005 0.005 0.003

99-87-6 1-Methyl-4-i-propylbenzene 0.017 0.015 0.011

141-93-5 1,3-Diethylbenzene 0.040 0.035 0.027

1074-43-7 1-Methyl-3-n-propylbenzene 0.225 0.197 0.150

105-05-5 1,4-Diethylbenzene 0.125 0.109 0.083

934-74-7 1,3-Dimethyl-5-ethylbenzene 0.120 0.103 0.080

135-01-3 1,2-Diethylbenzene 0.023 0.020 0.016

1074-17-5 1-Methyl-2-n-propylbenzene 0.050 0.043 0.034

1758-88-9 1,4,Dimethyl-2-ethylbenzene 0.117 0.101 0.078

874-41-9 1,3-Dimethyl-4-ethylbenzene 0.221 0.190 0.147

934-80-5 1,2-Dimethyl-4-ethylbenzene 0.341 0.294 0.227

2870-04-4 1,3-Dimethyl-2-ethylbenzene 0.105 0.089 0.070

1-Methyl-4-t-butylbenzene 0.044 0.039 0.026

933-98-2 1,2-Dimethyl-3-ethylbenzene 0.151 0.127 0.100

4218-48-8 1-Ethyl-4-i-propylbenzene 0.037 0.031 0.022

C11 - Aromatic - 1 0.006 0.005 0.004

1,2,4,5-Tetramethylbenzene 0.384 0.326 0.256

527-53-7 1,2,3,5-Tetramethylbenzene 0.549 0.465 0.366

C11 - Aromatic - 2 0.007 0.006 0.004

C11 - Aromatic - 3 0.076 0.065 0.046

1,2-Di-i-propylbenzene 0.075 0.064 0.041

1595-16-0 1-methyl-4-(1-methylpropyl)be 0.112 0.095 0.067

C11 - Aromatic - 4 0.055 0.047 0.033

5161-04-6 Benzene, 1-methyl-4-(2-methylp 0.076 0.064 0.046

538-68-1 n-Pentylbenzene 0.032 0.027 0.019

tert-Pentylbenzene 0.114 0.096 0.069

577-55-9 1-Methyl-2-n-butylbenzene 0.052 0.044 0.031

C11 - Aromatic - 7 0.067 0.059 0.040

100-18-5 1,4-Di-i-propylbenzene 0.092 0.078 0.051

C12-Aromatic-1 0.006 0.006 0.003

C11 - Aromatic - 10 0.012 0.010 0.007

1,3-Di-n-propylbenzene 0.038 0.032 0.021

C11 - Aromatic - 11 0.020 0.018 0.012

C11 - Aromatic - 12 0.010 0.009 0.006

C11 - Aromatic - 13 0.002 0.002 0.001

C12 - Aromatic - 1 0.006 0.005 0.004

C12 - Aromatic - 11 0.005 0.005 0.003

877-44-1 1,2,4-Triethylbenzene 0.006 0.005 0.003

700-12-9 Pentamethylbenzene 0.027 0.020 0.016

C13 - Aromatic - 2 0.003 0.002 0.001

Naphthalenes 91-20-3 Naphthalene 0.136 0.100 0.095

91-57-6 2-Methylnaphthalene 0.239 0.177 0.149

90-12-0 1-Methylnaphthalene 0.110 0.081 0.069

Dimethylnaphthalene-3 0.018 0.014 0.010

Dimethylnaphthalene-4 0.020 0.015 0.011
CO-OPTIMIZATION OF FUELS & ENGINES PROPERTIES OF CO-OPTIMA CORE RESEARCH GASOLINES

33

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Cycloalkane (cont.)

Group CASNO Component %Wgt %Vol %Mol

Naphthalenes Dimethylnaphthalene-5 0.045 0.035 0.026

Dimethylnaphthalene - 6 0.027 0.021 0.016

Dimethylnaphthalene-5(1) 0.020 0.016 0.012

Dimethylnaphthalene-6 0.012 0.009 0.007

Naphtheno/Olefin Indan 0.085 0.066 0.064

2-Methylindan 0.026 0.020 0.018

874-35-1 5-Methylindan 0.199 0.168 0.134

824-22-6 4-Methylindan 0.256 0.217 0.173

824-63-5 2-Methylindan(1) 0.175 0.148 0.118

4,7-Dimethyl Indane 0.016 0.013 0.010

1,1-Dimethyl Indane 0.016 0.012 0.010

Dimethyl Indane - 1 0.007 0.005 0.004

C2 Indane - 1 0.004 0.003 0.002

4,7-DimethylIndane 0.014 0.011 0.009

Dimethyl Indane - 3 0.010 0.008 0.006

Dimethyl Indane - 4 0.008 0.006 0.005

C3 Indane - 6 0.021 0.017 0.012

Indenes

Naphthenes

Mono-Naphthene 287-92-3 Cyclopentane 19.960 20.191 25.455

96-37-7 Methylcyclopentane 0.974 0.982 1.036

110-82-7 Cyclohexane 0.121 0.117 0.128

1759-58-6 1t,3-Dimethylcyclopentane 0.037 0.037 0.034

2532-58-3 1c,3-Dimethylcyclopentane 0.033 0.033 0.030

822-50-4 1t,2-Dimethylcyclopentane 0.043 0.043 0.039

108-87-2 Methylcyclohexane 0.154 0.151 0.140

4516-69-2 1,1,3-Trimethylcyclopentane 0.017 0.017 0.014

1640-89-7 Ethylcyclopentane 0.014 0.014 0.013

4850-28-6 1c,2t,4-Trimethylcyclopentane 0.036 0.036 0.029

15890-40-1 1t,2c,3-Trimethylcyclopentane 0.042 0.041 0.033

1,3-dimethyl-t-cyclohexane 0.390 0.382 0.311

3c-Ethylmethylcyclopentane 0.034 0.033 0.027

624-29-3 1c,4-Dimethylcyclohexane 0.221 0.213 0.176

2207-01-4 1c,2-Dimethylcyclohexane 0.092 0.087 0.073

1678-91-7 Ethylcyclohexane 0.490 0.471 0.391

C9 - MonoNaph - 1 0.250 0.244 0.177

7094-27-1 1,1,4-Trimethylcyclohexane 0.031 0.031 0.022

3073-66-3 1,1,3-Trimethylcyclohexane 0.056 0.053 0.040

7667-60-9 1c,2t,4t-Trimethylcyclohexane 0.312 0.302 0.221

C9 - MonoNaph - 4 0.059 0.058 0.042

1c,2t,4c-Trimethylcyclohexane 0.079 0.077 0.056

Cyclohexane, 1,2,4-trimethyl-, 0.055 0.054 0.039

3728-57-2 Cyclopentane, 1-methyl-2-propy 0.096 0.082 0.081

trans-1,3-Diethylcyclopentane 0.213 0.183 0.151

4926-90-3 1,1-Methylethylcyclohexane 0.113 0.106 0.080
CO-OPTIMIZATION OF FUELS & ENGINES PROPERTIES OF CO-OPTIMA CORE RESEARCH GASOLINES

34

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Cycloalkane (cont.)

Group CASNO Component %Wgt %Vol %Mol

Mono-Naphthene 1-ethyl-4-t-methylcyclohexane 0.029 0.027 0.020

696-29-7 1-Methyl-2-propyl-cyclopentan 0.006 0.005 0.004

1,2,3,5-t-Tetramethylcyclohex 0.049 0.048 0.035

1678-98-4 i-Butylcyclohexane 0.026 0.025 0.017

n-ButylCyclohexane 0.016 0.015 0.010

Di/Bicyclo-Napht

Olefins

Di-Olefins

n-Olefins 624-64-6 t-Butene-2 0.003 0.004 0.005

592-41-6 Hexene-1 0.814 0.905 0.865

4050-45-7 t-Hexene-2 0.006 0.006 0.006

14919-01-8 t-Octene-3 0.003 0.003 0.002

20063-92-7 t-Nonene-3 0.032 0.036 0.023

C10-n-Olefin 0.008 0.008 0.005

693-61-8 2-Undecene, (E)- 0.011 0.011 0.007

5-Undecene 0.011 0.011 0.007

Iso-Olefins 625-27-4 2-Methylpentene-2 0.005 0.005 0.005

922-62-3 3-Methyl-c-pentene-2 0.003 0.004 0.004

C8 - Diolefin - 1 0.015 0.015 0.012

C8 - IsoOlefin - 7 0.007 0.007 0.006

4485-16-9 3-Heptene, 4-methyl- 0.214 0.211 0.171

14850-22-7 C8-IsoOlefin-9 0.016 0.016 0.013

2,3,3-Trimethylhexene-1 0.013 0.014 0.009

C9 - IsoOlefin - 1 0.012 0.012 0.010

2213-23-2 2,3-Dimethyl-3-heptene 0.016 0.018 0.011

4588-18-5 2-Methyloctene-1 0.032 0.035 0.023

33933-74-4 3-Heptene, 4-ethyl- 0.014 0.014 0.010

19549-87-2 2,4-Dimethylheptene-1 0.022 0.025 0.016

C9-IsoOlefin-3 0.025 0.024 0.018

16993-86-4 2-Methyloctene-2 0.019 0.021 0.013

3074-64-4 2,3-Dimethylheptene-2 0.012 0.014 0.009

C10-IsoOlefin-4 0.006 0.006 0.004

C10 Iso-olefin - 5 0.050 0.054 0.032

C10 Iso-olefin - 6 0.007 0.008 0.005

C10-IsoOlefin-7 0.011 0.012 0.007

C10-IsoOlefin-12 0.014 0.015 0.009

69405-42-1 3-Nonene, 3-methyl-, (E)- 0.005 0.005 0.003

Naphtheno-Olefin 693-89-0 1-Methylcyclopentene 0.007 0.007 0.007

C9 - NaphOlefin - 2 0.040 0.041 0.029

C9-NaphthenoOlefin-6 0.000 0.000 0.000

Oxygenates

Unidentified Unidentified 0.005 0.005 0.004

Unidentified 0.029 0.028 0.023
CO-OPTIMIZATION OF FUELS & ENGINES PROPERTIES OF CO-OPTIMA CORE RESEARCH GASOLINES

35

This report is available at no cost from the National Renewable Energy Laboratory (NREL) at www.nrel.gov/publications.

Cycloalkane (cont.)

Group CASNO Component %Wgt %Vol %Mol

Unidentified Unidentified 0.052 0.051 0.041

Unidentified 0.006 0.006 0.005

Unidentified 0.003 0.002 0.002

Unidentified 0.011 0.011 0.008

Unidentified 0.021 0.021 0.015

Unidentified 0.083 0.086 0.060

Unidentified 0.017 0.018 0.011

Unidentified 0.006 0.006 0.004

Unidentified 0.004 0.004 0.002

Unidentified 0.032 0.035 0.021

Unidentified 0.003 0.003 0.002

Unidentified 0.033 0.028 0.025

Unidentified 0.006 0.005 0.003

Unidentified 0.007 0.006 0.004

Unidentified 0.008 0.007 0.005

Unidentified 0.023 0.019 0.014

Unidentified 0.004 0.004 0.002

Unidentified 0.013 0.011 0.007

Unidentified 0.001 0.001 0.000

Unidentified 0.009 0.009 0.004

Unidentified 0.001 0.001 0.001

Unidentified 0.012 0.012 0.005

Unidentified 0.010 0.010 0.004

Unidentified 0.002 0.002 0.001

Unidentified 0.016 0.016 0.007

Unidentified 0.011 0.010 0.004

Unidentified 0.003 0.003 0.001

Unidentified 0.011 0.010 0.004

Unidentified 0.010 0.010 0.004

Unidentified 0.005 0.005 0.002

Unidentified 0.005 0.005 0.002

Unidentified 0.003 0.003 0.001

Unidentified 0.006 0.006 0.003

Unidentified 0.002 0.002 0.001

Unidentified 0.005 0.005 0.002

Unidentified 0.004 0.004 0.002

Unidentified 0.004 0.004 0.002

Unidentified 0.002 0.002 0.001

Unidentified 0.006 0.006 0.003

Unidentified 0.002 0.002 0.001

Unidentified 0.002 0.002 0.001

Unidentified 0.002 0.002 0.001

Unidentified 0.002 0.001 0.001
CO-OPTIMIZATION OF FUELS & ENGINES PROPERTIES OF CO-OPTIMA CORE RESEARCH GASOLINES

36

This report is available at no cost from the National Renewable Energy Laboratory (NREL) at www.nrel.gov/publications.

E30

Group CASNO Component %Wgt %Vol %Mol

Paraffin 106-97-8 n-Butane 2.715 3.513 3.411

109-66-0 n-Pentane 2.642 3.161 2.675

110-54-3 n-Hexane 2.655 3.015 2.250

142-82-5 n-Heptane 0.044 0.048 0.032

111-65-9 n-Octane 0.887 0.945 0.567

111-84-2 n-Nonane 1.182 1.234 0.673

124-18-5 n-Decane 0.439 0.451 0.225

1120-21-4 n-Undecane 0.411 0.414 0.192

112-40-3 n-Dodecane 0.078 0.077 0.033

629-59-4 n-Tetradecane 0.027 0.026 0.010

629-62-9 n-Pentadecane 0.001 0.001 0.000

I-Paraffins 463-82-1 2,2-Dimethylpropane 0.005 0.006 0.005

78-78-4 i-Pentane 2.042 2.469 2.067

75-83-2 2,2-Dimethylbutane 0.327 0.377 0.277

79-29-8 2,3-Dimethylbutane 0.787 0.891 0.667

107-83-5 2-Methylpentane 1.654 1.897 1.402

96-14-0 3-Methylpentane 1.452 1.637 1.231

108-08-7 2,4-Dimethylpentane 0.706 0.786 0.515

464-06-2 2,2,3-Trimethylbutane 0.054 0.059 0.040

562-49-2 3,3-Dimethylpentane 0.107 0.116 0.078

591-76-4 2-Methylhexane 1.104 1.218 0.805

589-34-4 3-Methylhexane 0.481 0.524 0.350

617-78-7 3-Ethylpentane 0.026 0.028 0.019

540-84-1 2,2,4-Trimethylpentane 4.323 4.680 2.764

564-02-3 2,2,3-Trimethylpentane 0.300 0.314 0.192

592-13-2 2,5-Dimethylhexane 0.615 0.664 0.393

589-43-5 2,4-Dimethylhexane 0.530 0.567 0.339

563-16-6 3,3-Dimethylhexane 0.006 0.006 0.004

565-75-3 2,3,4-Trimethylpentane 1.729 1.801 1.106

560-21-4 2,3,3-Trimethylpentane 1.783 1.839 1.140

584-94-1 2,3-Dimethylhexane 0.495 0.521 0.316

592-27-8 2-Methylheptane 0.285 0.306 0.182

589-53-7 4-Methylheptane 0.143 0.152 0.091

583-48-2 3,4-Dimethylhexane 0.063 0.066 0.040

589-81-1 3-Methylheptane 0.222 0.235 0.142

619-99-8 3-Ethylhexane 0.278 0.292 0.178

3522-94-9 2,2,5-Trimethylhexane 0.775 0.821 0.441

C9-Isoparaffin-x 0.045 0.046 0.026

1069-53-0 2,3,5-Trimethylhexane 0.118 0.123 0.067

1071-26-7 2,4-Dimethylheptane 0.126 0.133 0.072

16747-25-4 2,2,3-Trimethylhexane 0.010 0.010 0.006

1072-05-5 2,6-Dimethylheptane 0.290 0.307 0.165

2,5-Dimethylheptane 0.215 0.225 0.122

3,5-Dimethylheptane 0.058 0.061 0.033

2216-32-2 4-Ethylheptane 0.100 0.104 0.057

2216-34-4 4-Methyloctane 0.318 0.331 0.181
CO-OPTIMIZATION OF FUELS & ENGINES PROPERTIES OF CO-OPTIMA CORE RESEARCH GASOLINES

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E30 (cont.)

Group CASNO Component %Wgt %Vol %Mol

I-Paraffins 3221-61-2 2-Methyloctane 0.396 0.416 0.225

2216-33-3 3-Methyloctane 0.885 0.920 0.504

C10 - IsoParaffin - 1 0.128 0.132 0.066

14720-74-2 2,2,4-trimethylheptane 0.279 0.287 0.143

C10-isoparaffin-x 0.000 0.000 0.000

2,3-Dimethyloctane 0.084 0.087 0.043

15869-87-1 2,2-Dimethyloctane 0.042 0.043 0.021

15869-89-3 2,5-Dimethyloctane 0.066 0.068 0.034

2040-95-1 2,7-Dimethyloctane 0.017 0.018 0.009

2051-30-1 2,4-Dimethyloctane 0.058 0.059 0.030

2,6-Dimethyloctane 0.120 0.123 0.062

3-Methyl-5-ethylheptane 0.072 0.075 0.037

15869-85-9 5-Methylnonane 0.053 0.054 0.027

917301-94-8 4-Methylnonane 0.118 0.121 0.061

2,2,6-Trimethyloctane 0.218 0.225 0.112

5881-17-4 3-Ethyloctane 0.029 0.029 0.015

5911-04-6 3-Methylnonane 0.084 0.086 0.043

C11-Isoparaffin-1 0.105 0.105 0.049

C11-Isoparaffin-2 0.033 0.033 0.015

C10 - IsoParaffin - 5 0.061 0.063 0.032

62016-30-4 2,3,3-trimethyloctane 0.049 0.049 0.023

C11-Isoparaffin-3 0.020 0.020 0.009

C11 Isoparaffin-4 0.038 0.039 0.018

C11-Isoparaffin-5 0.117 0.118 0.055

2,5,6-Trimethyloctane 0.175 0.176 0.082

C11-Isoparaffin-7 0.113 0.114 0.053

C11-Isoparaffin-8 0.030 0.030 0.014

C11-Isoparaffin-9 0.051 0.052 0.024

C11- Isoparaffin-11 0.125 0.126 0.058

C11- Isoparaffin - 12 0.044 0.044 0.020

C11- IsoParaffin - 13 0.051 0.052 0.024

C12 - IsoParaffin - 1 0.079 0.080 0.034

C12 - IsoParaffin - 2 0.069 0.070 0.030

C12 - Isoparaffin - 3 0.032 0.032 0.014

C12 - IsoParaffin - 4 0.048 0.047 0.020

C14-Isoparaffin-1 0.004 0.004 0.001

Aromatics

Mono-Aromatics 71-42-3 Benzene 0.803 0.684 0.751

108-88-3 Toluene 4.448 3.842 3.526

100-41-4 Ethylbenzene 0.575 0.496 0.395

108-38-3 m-Xylene 1.393 1.207 0.958

106-42-3 p-Xylene 0.635 0.553 0.437

95-47-6 o-Xylene 0.728 0.619 0.501

98-82-8 i-Propylbenzene 0.019 0.017 0.012

103-65-1 n-Propylbenzene 0.205 0.178 0.125

620-14-4 1-Methyl-3-ethylbenzene 0.695 0.602 0.423
CO-OPTIMIZATION OF FUELS & ENGINES PROPERTIES OF CO-OPTIMA CORE RESEARCH GASOLINES

38

This report is available at no cost from the National Renewable Energy Laboratory (NREL) at www.nrel.gov/publications.

E30 (cont.)

Group CASNO Component %Wgt %Vol %Mol

Mono-Aromatics 622-96-8 1-Methyl-4-ethylbenzene 0.342 0.298 0.208

108-67-8 1,3,5-Trimethylbenzene 0.450 0.390 0.274

611-14-3 1-Methyl-2-ethylbenzene 0.234 0.199 0.142

95-63-6 1,2,4-Trimethylbenzene 1.107 0.947 0.673

538-93-2 i-Butylbenzene 0.064 0.056 0.035

526-73-8 1,2,3-Trimethylbenzene 0.237 0.199 0.144

535-77-3 1-Methyl-3-i-propylbenzene 0.012 0.011 0.007

99-87-6 1-Methyl-4-i-propylbenzene 0.029 0.025 0.016

141-93-5 1,3-Diethylbenzene 0.054 0.047 0.030

1074-43-7 1-Methyl-3-n-propylbenzene 0.276 0.240 0.150

105-05-5 1,4-Diethylbenzene 0.106 0.092 0.058

104-51-8 n-Butylbenzene 0.025 0.022 0.014

934-74-7 1,3-Dimethyl-5-ethylbenzene 0.130 0.111 0.071

135-01-3 1,2-Diethylbenzene 0.060 0.051 0.032

1074-17-5 1-Methyl-2-n-propylbenzene 0.076 0.065 0.041

1758-88-9 1,4,Dimethyl-2-ethylbenzene 0.106 0.091 0.058

874-41-9 1,3-Dimethyl-4-ethylbenzene 0.121 0.104 0.066

934-80-5 1,2-Dimethyl-4-ethylbenzene 0.255 0.219 0.139

2870-04-4 1,3-Dimethyl-2-ethylbenzene 0.154 0.129 0.084

1-Methyl-4-t-butylbenzene 0.049 0.043 0.024

1-Ethyl-3-i-propylbenzene 0.052 0.044 0.026

933-98-2 1,2-Dimethyl-3-ethylbenzene 0.087 0.073 0.047

4218-48-8 1-Ethyl-4-i-propylbenzene 0.102 0.086 0.050

1,2,4,5-Tetramethylbenzene 0.257 0.217 0.140

527-53-7 1,2,3,5-Tetramethylbenzene 0.305 0.257 0.166

C11 - Aromatic - 2 0.013 0.011 0.007

C11 - Aromatic - 3 0.038 0.032 0.019

1,2-Di-i-propylbenzene 0.045 0.037 0.020

1595-16-0 1-methyl-4-(1-methylpropyl)be 0.072 0.060 0.035

C11 - Aromatic - 4 0.083 0.070 0.041

5161-04-6 Benzene, 1-methyl-4-(2-methylp 0.034 0.029 0.017

538-68-1 n-Pentylbenzene 0.023 0.019 0.011

tert-Pentylbenzene 0.063 0.053 0.031

577-55-9 1-Methyl-2-n-butylbenzene 0.025 0.021 0.012

C11 - Aromatic - 7 0.059 0.052 0.029

100-18-5 1,4-Di-i-propylbenzene 0.051 0.043 0.023

C12-Aromatic-1 0.012 0.011 0.006

C11 - Aromatic - 10 0.019 0.017 0.010

1,3-Di-n-propylbenzene 0.034 0.029 0.015

C11 - Aromatic - 11 0.013 0.012 0.006

C11 - Aromatic - 12 0.012 0.010 0.006

C11 - Aromatic - 13 0.004 0.004 0.002

C11 - Aromatic - 14 0.009 0.008 0.004

C12 - Aromatic - 1 0.011 0.009 0.005

C12 - Aromatic - 3 0.001 0.001 0.001

C12 - Aromatic - 7 0.001 0.001 0.000

C12 - Aromatic -8 0.001 0.000 0.000
CO-OPTIMIZATION OF FUELS & ENGINES PROPERTIES OF CO-OPTIMA CORE RESEARCH GASOLINES

39

This report is available at no cost from the National Renewable Energy Laboratory (NREL) at www.nrel.gov/publications.

E30 (cont.)

Group

Mono-Aromatics 

CASNO Component

C12 - Aromatic - 10

%Wgt

0.002

%Vol

0.002

%Mol

0.001

877-44-1 1,2,4-Triethylbenzene 0.010 0.008 0.005

700-12-9 Pentamethylbenzene 0.039 0.030 0.019

C13 - Aromatic - 2 0.004 0.003 0.002

Naphthalenes 91-20-3 Naphthalene 0.133 0.097 0.076

91-57-6 2-Methylnaphthalene 0.256 0.188 0.130

90-12-0 1-Methylnaphthalene 0.125 0.092 0.064

Dimethylnaphthalene-4 0.021 0.017 0.010

Dimethylnaphthalene - 6 0.050 0.039 0.024

Dimethylnaphthalene-5(1) 0.018 0.014 0.008

Dimethylnaphthalene-6 0.012 0.010 0.006

Naphtheno/Olefin Indan 0.114 0.088 0.070

2-Methylindan 0.071 0.055 0.039

874-35-1 5-Methylindan 0.120 0.101 0.066

824-22-6 4-Methylindan 0.158 0.133 0.087

824-63-5 2-Methylindan(1) 0.098 0.082 0.054

4,7-Dimethyl Indane 0.024 0.019 0.012

1,1-Dimethyl Indane 0.011 0.009 0.006

Dimethyl Indane - 1 0.006 0.005 0.003

C2 Indane - 1 0.005 0.004 0.003

C3-Indane-2 0.002 0.001 0.001

4,7-DimethylIndane 0.021 0.016 0.010

Dimethyl Indane - 3 0.013 0.010 0.007

Dimethyl Indane - 4 0.006 0.005 0.003

Indenes Diimethyl Indene - 2 0.001 0.000 0.000

Naphthenes

Mono-Naphthene 287-92-3 Cyclopentane 0.698 0.701 0.727

96-37-7 Methylcyclopentane 1.155 1.156 1.003

110-82-7 Cyclohexane 0.134 0.129 0.116

1759-58-6 1t,3-Dimethylcyclopentane 0.031 0.031 0.023

2532-58-3 1c,3-Dimethylcyclopentane 0.026 0.027 0.020

822-50-4 1t,2-Dimethylcyclopentane 0.032 0.032 0.024

108-87-2 Methylcyclohexane 0.130 0.127 0.097

4516-69-2 1,1,3-Trimethylcyclopentane 0.016 0.016 0.010

1640-89-7 Ethylcyclopentane 0.017 0.016 0.012

4850-28-6 1c,2t,4-Trimethylcyclopentane 0.041 0.040 0.027

15890-40-1 1t,2c,3-Trimethylcyclopentane 0.049 0.048 0.032

1c,2t,3-Trimethylcyclopentane 0.008 0.007 0.005

1,3-dimethyl-t-cyclohexane 0.714 0.695 0.465

3c-Ethylmethylcyclopentane 0.087 0.085 0.057

3t-Ethylmethylcyclopentane 0.094 0.092 0.061

930-89-2 Cyclopentane, 1-ethyl-2-methyl 0.025 0.025 0.016

2207-01-4 1c,2-Dimethylcyclohexane 0.170 0.160 0.110
CO-OPTIMIZATION OF FUELS & ENGINES PROPERTIES OF CO-OPTIMA CORE RESEARCH GASOLINES

40

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E30 (cont.)

Group

Mono-Naphthene

Di/Bicyclo-Napht

Olefins

n-Olefins 592-41-6 Hexene-1 3.577 3.952 3.105

13269-52-8 t-Hexene-3 0.005 0.005 0.004

4050-45-7 t-Hexene-2 0.014 0.015 0.012

7688-21-3 c-Hexene-2 0.004 0.004 0.004

14919-01-8 t-Octene-3 0.005 0.005 0.003

C9-isoolefin 0.033 0.036 0.019

20063-92-7 t-Nonene-3 0.069 0.076 0.040

C10-n-Olefin 0.017 0.017 0.009

693-61-8 2-Undecene, (E)- 0.035 0.036 0.018

5-Undecene 0.048 0.049 0.025

Iso-Olefins 625-27-4 2-Methylpentene-2 0.008 0.009 0.007

922-62-3 3-Methyl-c-pentene-2 0.007 0.007 0.006

C8 - Diolefin - 1 0.022 0.021 0.014

C8 - IsoOlefin - 7 0.008 0.008 0.005

4485-16-9 3-Heptene, 4-methyl- 0.399 0.391 0.260

14850-22-7 C8-IsoOlefin-9 0.033 0.032 0.021

C8 - IsoOlefin - 10 0.025 0.024 0.016

C9 - IsoOlefin - 1 0.022 0.021 0.014

2213-23-2 2,3-Dimethyl-3-heptene 0.032 0.035 0.018

4588-18-5 2-Methyloctene-1 0.064 0.070 0.037

33933-74-4 3-Heptene, 4-ethyl- 0.028 0.027 0.016

19549-87-2 2,4-Dimethylheptene-1 0.038 0.042 0.022

C9-IsoOlefin-3 0.043 0.041 0.025

16993-86-4 2-Methyloctene-2 0.040 0.044 0.023

3074-64-4 2,3-Dimethylheptene-2 0.025 0.027 0.014

C10-IsoOlefin-4 0.008 0.008 0.004

CASNO Component %Wgt %Vol %Mol

1678-91-7 Ethylcyclohexane 0.922 0.881 0.600

C9 - MonoNaph - 1 0.462 0.448 0.267

7094-27-1 1,1,4-Trimethylcyclohexane 0.061 0.059 0.035

3073-66-3 1,1,3-Trimethylcyclohexane 0.109 0.103 0.063

7667-60-9 1c,2t,4t-Trimethylcyclohexane 0.650 0.624 0.376

C9 - MonoNaph - 4 0.133 0.129 0.077

1c,2t,4c-Trimethylcyclohexane 0.189 0.183 0.109

Cyclohexane, 1,2,4-trimethyl-, 0.123 0.120 0.071

3728-57-2 Cyclopentane, 1-methyl-2-propy 0.215 0.183 0.148

trans-1,3-Diethylcyclopentane 0.422 0.359 0.244

4926-90-3 1,1-Methylethylcyclohexane 0.203 0.188 0.117

1-ethyl-4-t-methylcyclohexane 0.056 0.052 0.032

696-29-7 1-Methyl-2-propyl-cyclopentan 0.008 0.007 0.005

1,2,3,5-t-Tetramethylcyclohex 0.112 0.109 0.065

1678-98-4 i-Butylcyclohexane 0.064 0.060 0.033

C10 - MonoNaph - 2 0.013 0.012 0.007

n-ButylCyclohexane 0.078 0.072 0.041
CO-OPTIMIZATION OF FUELS & ENGINES PROPERTIES OF CO-OPTIMA CORE RESEARCH GASOLINES

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E30 (cont.)

Group CASNO Component %Wgt %Vol %Mol

Iso-Olefins C10 Iso-olefin - 5 0.083 0.088 0.043

C10 Iso-olefin - 6 0.012 0.013 0.006

C10-IsoOlefin-7 0.039 0.042 0.020

C10 - IsoOlefin - 8 0.012 0.013 0.006

C10-IsoOlefin-12 0.051 0.054 0.026

C10-IsoOlefin -15 0.080 0.085 0.042

69405-42-1 3-Nonene, 3-methyl-, (E)- 0.021 0.021 0.011

Naphtheno-Olefin 693-89-0 1-Methylcyclopentene 0.010 0.010 0.009

C9 Naph-Olefin -1 0.174 0.178 0.103

C9 - NaphOlefin - 2 0.088 0.090 0.052

C9-NaphthenoOlefin-6 0.000 0.000 0.000

Di-Olefins

Oxygenates 64-17-5 Ethanol 31.989 30.368 50.719

Unidentified Unidentified 0.000 0.001 0.001

Unidentified 0.017 0.023 0.022

Unidentified 0.006 0.006 0.008

Unidentified 0.008 0.009 0.006

Unidentified 0.024 0.025 0.016

Unidentified 0.058 0.056 0.038

Unidentified 0.947 0.925 0.616

Unidentified 0.407 0.398 0.265

Unidentified 0.005 0.005 0.003

Unidentified 0.021 0.020 0.012

Unidentified 0.063 0.066 0.036

Unidentified 0.036 0.035 0.021

Unidentified 0.204 0.210 0.116

Unidentified 0.048 0.046 0.028

Unidentified 0.038 0.039 0.019

Unidentified 0.003 0.003 0.001

Unidentified 0.006 0.006 0.004

Unidentified 0.006 0.007 0.003

Unidentified 0.006 0.005 0.003

Unidentified 0.008 0.008 0.005

Unidentified 0.015 0.015 0.007

Unidentified 0.015 0.015 0.009

Unidentified 0.018 0.018 0.009

Unidentified 0.014 0.015 0.007

Unidentified 0.011 0.010 0.006

Unidentified 0.008 0.008 0.004

Unidentified 0.009 0.008 0.005

Unidentified 0.022 0.022 0.010

Unidentified 0.022 0.019 0.012

Unidentified 0.008 0.006 0.005

Unidentified 0.026 0.026 0.012
CO-OPTIMIZATION OF FUELS & ENGINES PROPERTIES OF CO-OPTIMA CORE RESEARCH GASOLINES

42

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E30 (cont.)

Group CASNO Component %Wgt %Vol %Mol

Unidentified Unidentified 0.102 0.087 0.055

Unidentified 0.030 0.023 0.017

Unidentified 0.020 0.020 0.010

Unidentified 0.016 0.016 0.007

Unidentified 0.020 0.020 0.010

Unidentified 0.061 0.056 0.029

Unidentified 0.016 0.016 0.007

Unidentified 0.065 0.055 0.036

Unidentified 0.044 0.037 0.024

Unidentified 0.042 0.035 0.020

Unidentified 0.020 0.017 0.010

Unidentified 0.008 0.007 0.004

Unidentified 0.027 0.027 0.011

Unidentified 0.013 0.013 0.006

Unidentified 0.030 0.030 0.013

Unidentified 0.008 0.008 0.003

Unidentified 0.002 0.002 0.001

Unidentified 0.004 0.003 0.002

Unidentified 0.002 0.001 0.001

Unidentified 0.001 0.001 0.000

Unidentified 0.002 0.001 0.001

Unidentified 0.004 0.003 0.001

Unidentified 0.002 0.002 0.001

Unidentified 0.002 0.002 0.001

Unidentified 0.010 0.010 0.004

Unidentified 0.002 0.001 0.001

Unidentified 0.001 0.001 0.000

Unidentified 0.002 0.002 0.001

Unidentified 0.002 0.002 0.001

Unidentified 0.020 0.015 0.009

Unidentified 0.022 0.017 0.010

Unidentified 0.004 0.003 0.002

Unidentified 0.013 0.013 0.005

Unidentified 0.002 0.002 0.001

Unidentified 0.009 0.009 0.003

Unidentified 0.003 0.003 0.001

Unidentified 0.009 0.008 0.003

Unidentified 0.008 0.008 0.003

Unidentified 0.004 0.004 0.001

Unidentified 0.004 0.004 0.001

Unidentified 0.012 0.012 0.004

Unidentified 0.010 0.010 0.004

Unidentified 0.002 0.002 0.001

Unidentified 0.007 0.007 0.002

Unidentified 0.006 0.006 0.002

Unidentified 0.004 0.004 0.001

Unidentified 0.006 0.006 0.002

Unidentified 0.002 0.002 0.001

Unidentified 0.005 0.005 0.002

Unidentified 0.004 0.004 0.002

Unidentified 0.006 0.006 0.002

Unidentified 0.002 0.002 0.001

Unidentified 0.004 0.004 0.002

Unidentified 0.002 0.002 0.001

Unidentified 0.002 0.002 0.001

Unidentified 0.003 0.003 0.001

Unidentified 0.002 0.002 0.001
CO-OPTIMIZATION OF FUELS & ENGINES PROPERTIES OF CO-OPTIMA CORE RESEARCH GASOLINES

43

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Olefin

Group CASNO Component %Wgt %Vol %Mol

Paraffin 106-97-8 n-Butane 4.172 5.608 7.443

109-66-0 n-Pentane 2.240 2.784 3.220

110-54-3 n-Hexane 1.717 2.026 2.066

142-82-5 n-Heptane 0.049 0.056 0.051

111-65-9 n-Octane 0.275 0.305 0.250

111-84-2 n-Nonane 0.558 0.605 0.451

124-18-5 n-Decane 0.371 0.396 0.270

1120-21-4 n-Undecane 0.174 0.182 0.116

112-40-3 n-Dodecane 0.032 0.033 0.019

629-59-4 n-Tetradecane 0.019 0.020 0.010

I-Paraffins 463-82-1 2,2-Dimethylpropane 0.005 0.007 0.008

78-78-4 i-Pentane 1.879 2.360 2.701

75-83-2 2,2-Dimethylbutane 0.014 0.017 0.017

79-29-8 2,3-Dimethylbutane 1.036 1.219 1.247

107-83-5 2-Methylpentane 0.929 1.106 1.117

96-14-0 3-Methylpentane 0.855 1.002 1.029

108-08-7 2,4-Dimethylpentane 0.944 1.092 0.977

464-06-2 2,2,3-Trimethylbutane 0.069 0.078 0.072

562-49-2 3,3-Dimethylpentane 0.058 0.066 0.060

591-76-4 2-Methylhexane 1.042 1.194 1.078

589-34-4 3-Methylhexane 0.377 0.427 0.390

540-84-1 2,2,4-Trimethylpentane 17.116 19.248 15.538

590-73-8 2,2-Dimethylhexane 0.106 0.119 0.097

564-02-3 2,2,3-Trimethylpentane 0.616 0.670 0.559

592-13-2 2,5-Dimethylhexane 1.055 1.184 0.958

589-43-5 2,4-Dimethylhexane 0.898 0.998 0.816

565-75-3 2,3,4-Trimethylpentane 3.189 3.452 2.895

560-21-4 2,3,3-Trimethylpentane 3.335 3.574 3.028

584-94-1 2,3-Dimethylhexane 0.843 0.921 0.766

592-27-8 2-Methylheptane 0.121 0.135 0.110

589-53-7 4-Methylheptane 0.107 0.118 0.097

583-48-2 3,4-Dimethylhexane 0.079 0.086 0.072

589-81-1 3-Methylheptane 0.091 0.101 0.083

619-99-8 3-Ethylhexane 0.084 0.092 0.076

3522-94-9 2,2,5-Trimethylhexane 1.207 1.328 0.976

C9-Isoparaffin-x 0.037 0.039 0.030

1069-53-0 2,3,5-Trimethylhexane 0.184 0.198 0.148

1071-26-7 2,4-Dimethylheptane 0.054 0.059 0.043

16747-25-4 2,2,3-Trimethylhexane 0.118 0.129 0.096

2,5-Dimethylheptane 0.140 0.152 0.113

2-Methyl-4-ethylhexane 0.030 0.033 0.025

3074-71-3 2,3-Dimethylheptane 0.081 0.087 0.066

3,5-Dimethylheptane 0.017 0.018 0.014

1067-20-5 3,3-Diethylpentane 0.009 0.010 0.008

2216-34-4 4-Methyloctane 0.091 0.099 0.074

3221-61-2 2-Methyloctane 0.112 0.122 0.090
CO-OPTIMIZATION OF FUELS & ENGINES PROPERTIES OF CO-OPTIMA CORE RESEARCH GASOLINES

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Olefin (cont.)

Group CASNO Component %Wgt %Vol %Mol

I-Paraffins 2216-33-3 3-Methyloctane 0.241 0.261 0.195

922-28-1 3,4-Dimethylheptane 0.048 0.051 0.039

C10 - IsoParaffin - 1 0.167 0.178 0.121

C10-isoparaffin-x 0.000 0.000 0.000

2,3-Dimethyloctane 0.088 0.095 0.064

15869-87-1 2,2-Dimethyloctane 0.038 0.041 0.027

15869-89-3 2,5-Dimethyloctane 0.060 0.064 0.044

2040-95-1 2,7-Dimethyloctane 0.015 0.016 0.011

2051-30-1 2,4-Dimethyloctane 0.053 0.057 0.039

2,6-Dimethyloctane 0.104 0.110 0.075

3-Methyl-5-ethylheptane 0.064 0.068 0.046

15869-85-9 5-Methylnonane 0.044 0.047 0.032

17301-94-8 4-Methylnonane 0.099 0.105 0.072

2,2,6-Trimethyloctane 0.295 0.316 0.215

5881-17-4 3-Ethyloctane 0.024 0.025 0.018

5911-04-6 3-Methylnonane 0.068 0.072 0.049

C11-Isoparaffin-1 0.121 0.127 0.080

C11-Isoparaffin-2 0.038 0.040 0.025

C10 - IsoParaffin - 5 0.057 0.061 0.042

62016-30-4 2,3,3-trimethyloctane 0.059 0.062 0.039

C11-Isoparaffin-3 0.022 0.023 0.014

C11 Isoparaffin-4 0.035 0.036 0.023

C11-Isoparaffin-5 0.104 0.108 0.069

2,5,6-Trimethyloctane 0.253 0.264 0.168

C11-Isoparaffin-7 0.132 0.139 0.088

C11-Isoparaffin-8 0.022 0.023 0.015

C11-Isoparaffin-9 0.050 0.052 0.033

C11- Isoparaffin-10 0.027 0.029 0.018

C11- Isoparaffin-11 0.157 0.164 0.104

C11- Isoparaffin - 12 0.063 0.066 0.042

C11- IsoParaffin - 13 0.033 0.035 0.022

C12 - IsoParaffin - 1 0.030 0.032 0.018

C12 - IsoParaffin - 2 0.036 0.037 0.022

C12 - Isoparaffin - 3 0.010 0.010 0.006

C12 - IsoParaffin - 4 0.018 0.019 0.011

C14-Isoparaffin-1 0.006 0.006 0.003

Aromatics

Mono-Aromatics 108-88-3 Toluene 7.631 6.849 8.589

100-41-4 Ethylbenzene 0.513 0.461 0.501

108-38-3 m-Xylene 1.280 1.153 1.251

106-42-3 p-Xylene 0.580 0.524 0.567

95-47-6 o-Xylene 0.514 0.454 0.502

98-82-8 i-Propylbenzene 0.009 0.008 0.008

103-65-1 n-Propylbenzene 0.101 0.091 0.087

620-14-4 1-Methyl-3-ethylbenzene 0.304 0.273 0.262

622-96-8 1-Methyl-4-ethylbenzene 0.162 0.146 0.140
CO-OPTIMIZATION OF FUELS & ENGINES PROPERTIES OF CO-OPTIMA CORE RESEARCH GASOLINES

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Olefin (cont.)

Group CASNO Component %Wgt %Vol %Mol

Mono-Aromatics 108-67-8 1,3,5-Trimethylbenzene 0.238 0.214 0.205

611-14-3 1-Methyl-2-ethylbenzene 0.110 0.097 0.095

95-63-6 1,2,4-Trimethylbenzene 0.516 0.459 0.445

538-93-2 i-Butylbenzene 0.050 0.045 0.038

526-73-8 1,2,3-Trimethylbenzene 0.138 0.120 0.119

535-77-3 1-Methyl-3-i-propylbenzene 0.027 0.024 0.021

99-87-6 1-Methyl-4-i-propylbenzene 0.040 0.036 0.031

141-93-5 1,3-Diethylbenzene 0.027 0.025 0.021

1074-43-7 1-Methyl-3-n-propylbenzene 0.280 0.253 0.216

104-51-8 n-Butylbenzene 0.011 0.010 0.009

934-74-7 1,3-Dimethyl-5-ethylbenzene 0.050 0.044 0.039

135-01-3 1,2-Diethylbenzene 0.052 0.046 0.040

1074-17-5 1-Methyl-2-n-propylbenzene 0.043 0.038 0.033

874-41-9 1,3-Dimethyl-4-ethylbenzene 0.256 0.227 0.198

934-80-5 1,2-Dimethyl-4-ethylbenzene 0.136 0.121 0.105

2870-04-4 1,3-Dimethyl-2-ethylbenzene 0.195 0.170 0.150

1-Methyl-4-t-butylbenzene 0.034 0.031 0.024

1-Ethyl-3-i-propylbenzene 0.050 0.044 0.035

933-98-2 1,2-Dimethyl-3-ethylbenzene 0.044 0.039 0.034

4218-48-8 1-Ethyl-4-i-propylbenzene 0.075 0.066 0.053

1,2,4,5-Tetramethylbenzene 0.146 0.128 0.113

527-53-7 1,2,3,5-Tetramethylbenzene 0.187 0.163 0.145

C11 - Aromatic - 2 0.007 0.007 0.005

C11 - Aromatic - 3 0.020 0.018 0.014

1,2-Di-i-propylbenzene 0.027 0.024 0.017

1595-16-0 1-methyl-4-(1-methylpropyl)be 0.043 0.038 0.030

C11 - Aromatic - 4 0.038 0.033 0.026

5161-04-6 Benzene, 1-methyl-4-(2-methylp 0.027 0.023 0.019

538-68-1 n-Pentylbenzene 0.015 0.013 0.010

tert-Pentylbenzene 0.039 0.034 0.027

577-55-9 1-Methyl-2-n-butylbenzene 0.017 0.015 0.012

C11 - Aromatic - 7 0.034 0.031 0.024

100-18-5 1,4-Di-i-propylbenzene 0.033 0.029 0.021

C12-Aromatic-1 0.008 0.008 0.005

C11 - Aromatic - 10 0.010 0.009 0.007

1,3-Di-n-propylbenzene 0.021 0.018 0.013

C11 - Aromatic - 11 0.008 0.007 0.006

C11 - Aromatic - 12 0.007 0.006 0.005

C11 - Aromatic - 13 0.004 0.003 0.003

C11 - Aromatic - 14 0.005 0.004 0.003

C12 - Aromatic - 1 0.004 0.004 0.003

C12 - Aromatic -8 0.000 0.000 0.000

C12 - Aromatic - 10 0.003 0.002 0.002

C12 - Aromatic - 11 0.005 0.004 0.003

877-44-1 1,2,4-Triethylbenzene 0.011 0.010 0.007

700-12-9 Pentamethylbenzene 0.022 0.017 0.016

C13 - Aromatic - 2 0.006 0.005 0.003
CO-OPTIMIZATION OF FUELS & ENGINES PROPERTIES OF CO-OPTIMA CORE RESEARCH GASOLINES

46

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Olefin (cont.)

Group

Mono-Aromatics

CASNO Component %Wgt %Vol %Mol

Naphthalenes 91-20-3 Naphthalene 0.102 0.078 0.083

91-57-6 2-Methylnaphthalene 0.151 0.115 0.109

90-12-0 1-Methylnaphthalene 0.074 0.056 0.054

Dimethylnaphthalene-3 0.012 0.010 0.008

Dimethylnaphthalene-4 0.012 0.009 0.008

Dimethylnaphthalene-5 0.030 0.024 0.020

Dimethylnaphthalene - 6 0.014 0.011 0.009

Dimethylnaphthalene-5(1) 0.011 0.009 0.007

Dimethylnaphthalene-6 0.008 0.006 0.005

Naphtheno/Olefin Indan 0.077 0.062 0.068

2-Methylindan 0.055 0.045 0.043

874-35-1 5-Methylindan 0.071 0.062 0.056

824-22-6 4-Methylindan 0.092 0.080 0.072

824-63-5 2-Methylindan(1) 0.061 0.053 0.048

4,7-Dimethyl Indane 0.023 0.018 0.016

1,1-Dimethyl Indane 0.007 0.006 0.005

Dimethyl Indane - 1 0.004 0.003 0.003

C2 Indane - 1 0.005 0.004 0.004

4,7-DimethylIndane 0.012 0.010 0.008

Dimethyl Indane - 3 0.008 0.006 0.006

Dimethyl Indane - 4 0.004 0.003 0.003

C3 Indane - 6 0.002 0.002 0.001

Indenes Diimethyl Indene - 2 0.000 0.000 0.000

Naphthenes

Mono-Naphthene 287-92-3 Cyclopentane 0.013 0.013 0.019

96-37-7 Methylcyclopentane 0.805 0.837 0.992

110-82-7 Cyclohexane 0.099 0.099 0.122

1759-58-6 1t,3-Dimethylcyclopentane 0.030 0.032 0.032

2532-58-3 1c,3-Dimethylcyclopentane 0.026 0.027 0.027

822-50-4 1t,2-Dimethylcyclopentane 0.052 0.054 0.055

108-87-2 Methylcyclohexane 0.087 0.088 0.092

4516-69-2 1,1,3-Trimethylcyclopentane 0.010 0.010 0.009

4850-28-6 1c,2t,4-Trimethylcyclopentane 0.027 0.028 0.025

15890-40-1 1t,2c,3-Trimethylcyclopentane 0.023 0.024 0.022

1,3-dimethyl-t-cyclohexane 0.211 0.214 0.195

3c-Ethylmethylcyclopentane 0.056 0.057 0.052

624-29-3 1c,4-Dimethylcyclohexane 0.115 0.115 0.107

C9-Naphthene 0.007 0.007 0.005

1678-91-7 Ethylcyclohexane 0.264 0.262 0.244

1795-27-3 1c,3c,5-Trimethylcyclohexane 0.009 0.009 0.008

2040-96-2 n-Propylcyclopentane 0.135 0.136 0.125

7094-27-1 1,1,4-Trimethylcyclohexane 0.017 0.017 0.014

C9 - MonoNaph - 3 0.017 0.017 0.014
CO-OPTIMIZATION OF FUELS & ENGINES PROPERTIES OF CO-OPTIMA CORE RESEARCH GASOLINES

47

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Olefin (cont.)

Group CASNO Component %Wgt %Vol %Mol

Mono-Naphthene C9 - MonoNaph - 4 0.031 0.031 0.026

C9 - MonoNapth - 5 0.026 0.026 0.021

Cyclohexane, 1,2,4-trimethyl-, 0.014 0.014 0.012

3728-57-2 Cyclopentane, 1-methyl-2-propy 0.062 0.055 0.060

6236-88-0 Cyclohexane, 1-ethyl-4-methyl- 0.154 0.156 0.127

7094-26-0 1,1,2-Trimethylcyclohexane 0.184 0.179 0.151

C10 - MonoNaph - 1 0.014 0.014 0.010

4926-90-3 1,1-Methylethylcyclohexane 0.110 0.106 0.090

1-ethyl-4-t-methylcyclohexane 0.028 0.027 0.023

696-29-7 1-Methyl-2-propyl-cyclopentan 0.006 0.005 0.005

1,2,3,5-t-Tetramethylcyclohex 0.094 0.095 0.078

1678-98-4 i-Butylcyclohexane 0.058 0.057 0.043

C10 - MonoNaph - 2 0.027 0.026 0.020

n-ButylCyclohexane 0.070 0.067 0.051

Di/Bicyclo-Napht

Olefins

n-Olefins 592-41-6 Hexene-1 2.151 2.469 2.651

4050-45-7 t-Hexene-2 0.007 0.008 0.009

111-66-0 Octene-1 2.064 2.100 1.908

14919-01-8 t-Octene-3 0.003 0.003 0.003

111-23-6 t-Octene-2 0.002 0.002 0.002

C9-isoolefin 0.086 0.099 0.071

20063-92-7 t-Nonene-3 0.022 0.025 0.018

C10-n-Olefin 0.014 0.015 0.010

693-61-8 2-Undecene, (E)- 0.027 0.028 0.020

5-Undecene 0.032 0.034 0.024

Iso-Olefins 625-27-4 2-Methylpentene-2 0.004 0.004 0.005

922-62-3 3-Methyl-c-pentene-2 0.004 0.004 0.005

107-39-1 2,2,4-Trimethyl-1-Pentene 21.249 16.534 19.674

4914-91-4 2-Pentene, 3,4-dimethyl-, (Z)- 0.032 0.035 0.034

107-40-4 2.2.4-Trimethyl-2-Pentene 5.590 4.350 5.176

C8 - Diolefin - 1 0.008 0.008 0.007

4485-16-9 3-Heptene, 4-methyl- 0.118 0.120 0.109

14850-22-7 C8-IsoOlefin-9 0.009 0.009 0.008

C8 - IsoOlefin - 10 0.006 0.006 0.006

C9 - IsoOlefin - 1 0.006 0.006 0.006

19550-75-6 t-2,2-Dimethylheptene-3 0.052 0.059 0.043

C9 - IsoOlefin - 2 0.177 0.176 0.145

33933-74-4 3-Heptene, 4-ethyl- 0.008 0.008 0.006

19549-87-2 2,4-Dimethylheptene-1 0.014 0.016 0.012

C9-IsoOlefin-3 0.016 0.016 0.013

3074-64-4 2,3-Dimethylheptene-2 0.010 0.011 0.008

C10-IsoOlefin-4 0.006 0.006 0.004

C10 Iso-olefin - 5 0.049 0.055 0.036

C10 Iso-olefin - 6 0.009 0.010 0.007
CO-OPTIMIZATION OF FUELS & ENGINES PROPERTIES OF CO-OPTIMA CORE RESEARCH GASOLINES

48

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Olefin (cont.)

Di-Olefins

Group CASNO Component %Wgt %Vol %Mol

Iso-Olefins C10-IsoOlefin-7 0.034 0.038 0.025

C10 - IsoOlefin - 8 0.009 0.010 0.007

C10-IsoOlefin-12 0.046 0.051 0.034

C10-IsoOlefin -15 0.090 0.100 0.067

69405-42-1 3-Nonene, 3-methyl-, (E)- 0.016 0.017 0.012

Naphtheno-Olefin 693-89-0 1-Methylcyclopentene 0.005 0.005 0.007

C9 Naph-Olefin -1 0.059 0.062 0.049

C9 - NaphOlefin - 2 0.021 0.022 0.018

C9-NaphthenoOlefin-6 0.000 0.000 0.000

Oxygenates

Unidentified Unidentified 0.038 0.053 0.068

Unidentified 0.003 0.004 0.004

Unidentified 0.004 0.004 0.004

Unidentified 0.013 0.014 0.013

Unidentified 0.016 0.016 0.016

Unidentified 0.024 0.026 0.022

Unidentified 0.054 0.054 0.050

Unidentified 0.012 0.012 0.010

Unidentified 0.015 0.015 0.012

Unidentified 0.032 0.032 0.026

Unidentified 0.006 0.006 0.005

Unidentified 0.006 0.007 0.005

Unidentified 0.006 0.005 0.005

Unidentified 0.008 0.008 0.007

Unidentified 0.012 0.013 0.009

Unidentified 0.012 0.012 0.010

Unidentified 0.016 0.017 0.012

Unidentified 0.013 0.014 0.009

Unidentified 0.006 0.006 0.005

Unidentified 0.007 0.007 0.005

Unidentified 0.015 0.016 0.010

Unidentified 0.020 0.020 0.013

Unidentified 0.025 0.026 0.017

Unidentified 0.092 0.084 0.071

Unidentified 0.055 0.048 0.047

Unidentified 0.024 0.019 0.019

Unidentified 0.010 0.011 0.007

Unidentified 0.008 0.008 0.005

Unidentified 0.030 0.029 0.020

Unidentified 0.006 0.006 0.004

Unidentified 0.025 0.022 0.020

Unidentified 0.027 0.024 0.019

Unidentified 0.012 0.011 0.008

Unidentified 0.010 0.009 0.007
CO-OPTIMIZATION OF FUELS & ENGINES PROPERTIES OF CO-OPTIMA CORE RESEARCH GASOLINES

49

This report is available at no cost from the National Renewable Energy Laboratory (NREL) at www.nrel.gov/publications.

Olefin (cont.)

Group CASNO Component %Wgt %Vol %Mol

Unidentified Unidentified 0.008 0.008 0.005

Unidentified 0.009 0.009 0.005

Unidentified 0.003 0.003 0.002

Unidentified 0.002 0.001 0.001

Unidentified 0.004 0.004 0.003

Unidentified 0.003 0.003 0.001

Unidentified 0.005 0.004 0.003

Unidentified 0.002 0.002 0.001

Unidentified 0.007 0.007 0.004

Unidentified 0.010 0.010 0.005

Unidentified 0.002 0.002 0.001

Unidentified 0.002 0.002 0.001

Unidentified 0.003 0.003 0.002

Unidentified 0.006 0.005 0.004

Unidentified 0.002 0.002 0.001

Unidentified 0.007 0.007 0.004

Unidentified 0.006 0.006 0.003

Unidentified 0.004 0.004 0.002

Unidentified 0.005 0.005 0.003

Unidentified 0.004 0.004 0.002

Unidentified 0.002 0.002 0.001

Unidentified 0.002 0.002 0.001

Unidentified 0.006 0.006 0.003

Unidentified 0.006 0.006 0.003

Unidentified 0.002 0.002 0.001

Unidentified 0.003 0.003 0.002

Unidentified 0.003 0.003 0.002

Unidentified 0.002 0.002 0.001

Unidentified 0.003 0.003 0.001

Unidentified 0.002 0.002 0.001

Unidentified 0.002 0.002 0.001

Unidentified 0.001 0.001 0.001
This report is available at no cost from the National Renewable Energy Laboratory (NREL) at www.nrel.gov/publications.