MEMORANDUM

DATE: January 9, 2013 

TO: Docket EPA-HQ-OAR-2011-0135 

FROM: Catherine Yanca, Office of Transportation and Air Quality/Assessment and 

Standards Division 

 

SUBJECT: Mobile Source Hydrocarbon Speciation Profiles for the Tier 3 Rule NPRM and 

Anti-backsliding Study AQ Modeling 

Mobile Source Speciation Profiles used in the Tier 3 NPRM 

To model the air quality impact of air pollutant emissions using photochemical models, speciation 

profiles are used to distribute total volatile organic compound (VOC) mass into emission estimates 

for individual species. Mobile source emission profiles used in the analysis of the proposed Tier 3 

standards are listed below in Table 1. Additional information on the use of these profiles in air 

quality modeling, such as applicable source categories, can be found in the Emissions Inventory 

Technical Support Document. The EPA maintains a database of VOC and particulate matter (PM) 

speciation profiles for various emission sources including mobile sources. This database, called 

SPECIATE, maintains the record of each profile including its referenced source, testing methods, a 

subjective rating of the quality of the data, and other detailed data that allow researchers to decide 

which profile is most suitable for model input. Many of the profiles used are available in the 

SPECIATE version 4.3 database at: http://www.epa.gov/ttn/chief/software/speciate/index.html. 

Several profiles have been submitted for inclusion in the next version of SPECIATE and since this is 

not yet publically available, these profiles are included in this memorandum. 

Table 1 lists the VOC speciation profiles used in Tier 3 NPRM air quality modeling 

Profile 

ID 

Profile Name Source 

8750 Gasoline Exhaust - Reformulated gasoline (pre-Tier 2) SPECIATE v. 4.3 

8751 Gasoline Exhaust - E10 ethanol gasoline (pre-Tier 2) SPECIATE v. 4.3 

8756 Gasoline Exhaust - Tier 2 light-duty vehicles using 0% 

Ethanol - Composite Profile 

SPECIATE v. 4.3 

8757 Gasoline Exhaust - Tier 2 light-duty vehicles using 10% 

Ethanol - Composite Profile 

SPECIATE v. 4.3 

8758 Gasoline Exhaust - Tier 2 light-duty vehicles using 15% 

Ethanol - Composite Profile 

SPECIATE v. 4.3 

8753 Gasoline Vehicle - Evaporative emission - Reformulated 

gasoline 

SPECIATE v. 4.3 

8754 Gasoline Vehicle - Evaporative emission - E10 ethanol 

gasoline 

SPECIATE v. 4.3 

8872 Gasoline Vehicle - Evaporative emission - E15 ethanol 

gasoline - Calculated 

Submitted to SPECIATE. Included in this 

document. 

8766 Diurnal Permeation Evaporative Emissions from Gasoline 

Vehicles using 0% Ethanol - Combined - Composite 

Profile 

SPECIATE v. 4.3 

8769 Diurnal Permeation Evaporative Emissions from Gasoline SPECIATE v. 4.3 
Vehicles using 10% Ethanol - Combined - Composite 

Profile 

8770 Diurnal Permeation Evaporative Emissions from Gasoline 

Vehicles using 15% Ethanol - Combined 

SPECIATE v. 4.3 

8869 Gasoline Headspace Vapor - 0% Ethanol (E0) Combined - 

EPAct/V2/E-89 Program 

Submitted to SPECIATE. Included in this 

document. 

8870 Gasoline Headspace Vapor - 10% Ethanol (E10) 

Combined - EPAct/V2/E-89 Program 

Submitted to SPECIATE. Included in this 

document. 

8871 Gasoline Headspace Vapor - 15% Ethanol (E15) 

Combined - EPAct/V2/E-89 Program 

Submitted to SPECIATE. Included in this 

document. 

8774 Diesel Exhaust Emissions from Pre-2007 Model Year 

Heavy-Duty Diesel Trucks 

SPECIATE v. 4.3 

8775 Diesel Exhaust Emissions from 2007 Model Year HeavyDuty Diesel Engines with Controls SPECIATE v. 4.3 

4547 Gasoline Headspace Vapor - Circle K Diesel - adjusted for 

oxygenates 

SPECIATE v. 4.3 

5565 Aircraft Exhaust SPECIATE v. 4.3 

2480 Industrial Cluster, Ship Channel, Downwind Sample - 

1993 

SPECIATE v. 4.3 

Profile 8872: 

Profile 8872 “Gasoline Vehicle - Evaporative emission - E15 ethanol gasoline – Calculated” is a 

composite profile calculated by adjusting the existing profile 87541 for E10 evaporative 

emissions using the ratio of E10 to E15 fuel speciation profiles from EPAct/V2/E-89 Program 

Phase 3.2 Six fuels from the EPAct/V2/E-89 Program Phase 3 were used: three E10 fuels (fuels 

6, 10, 12) and three E15 (fuels 26, 27, 28). We averaged the E10 fuel speciation profiles and the 

E15 fuel speciation profiles, then created an E10/E15 ratio for each compound using the 

averaged profiles. The E10/E15 per compound ratio was then applied to the compounds in 

profile 8754 and renormalized to sum to 100 percent. 

SPECIES_ID CAS SPECIES_NAME WT_PER 

25 526-73-8 1,2,3-trimethylbenzene 0.0530 

30 95-63-6 1,2,4-trimethylbenzene 0.6144 

36 135-01-3 1,2-diethylbenzene 0.0543 

44 108-67-8 1,3,5-trimethylbenzene 0.1324 

48 542-92-7 1,3-cyclopentadiene 0.0006 

59 105-05-5 1,4-diethylbenzene 0.0088 

64 106-98-9 1-butene 0.0007 

75 637-92-3 1-ethyltertbutylether 0.0258 

78 592-41-6 1-hexene 0.0006 

80 611-14-3 1-Methyl-2-ethylbenzene 0.0146 

89 620-14-4 1-Methyl-3-ethylbenzene 0.7274 

94 622-96-8 1-Methyl-4-ethylbenzene 0.1665 

106 124-11-8 1-nonene 0.0044 

107 111-66-0 1-octene 0.0016 

 

1

 SPECIATE v. 4.3 at http://www.epa.gov/ttn/chief/software/speciate/index.html 2

 U.S. EPA. Assessing the Effect of Five Gasoline Properties on Exhaust Emissions from Light-Duty Vehicles 

certified to Tier-2 Standards: Part I - Study Design and Execution (EPAct/V2/E-89 Test Program Final Report). 

August, 2011. 
SPECIES_ID CAS SPECIES_NAME WT_PER 

108 109-67-1 1-pentene 0.1630 

112 464-06-2 2,2,3-trimethylbutane 0.0006 

118 540-84-1 2,2,4-trimethylpentane 5.2912 

121 3522-94-9 2,2,5-trimethylhexane 0.2387 

122 75-83-2 2,2-dimethylbutane 0.5331 

124 590-73-8 2,2-dimethylhexane 0.0006 

126 590-35-2 2,2-dimethylpentane 0.0011 

127 463-82-1 2,2-dimethylpropane 0.0037 

130 565-75-3 2,3,4-trimethylpentane 4.7827 

136 79-29-8 2,3-dimethylbutane 1.0996 

138 584-94-1 2,3-dimethylhexane 0.1831 

140 565-59-3 2,3-dimethylpentane 1.6933 

141 107-39-1 2,4,4-trimethyl-1-pentene 0.0010 

149 589-43-5 2,4-dimethylhexane 0.6121 

151 4032-94-4 2,4-dimethyloctane 0.0205 

152 108-08-7 2,4-dimethylpentane 1.3621 

156 592-13-2 2,5-dimethylhexane 0.0907 

181 563-46-2 2-methyl-1-butene 0.4322 

184 763-29-1 2-methyl-1-pentene 0.0138 

185 513-35-9 2-methyl-2-butene 0.8444 

186 2738-19-4 2-methyl-2-hexene 0.0031 

187 625-27-4 2-methyl-2-pentene 0.0175 

193 592-27-8 2-methylheptane 0.0465 

194 591-76-4 2-methylhexane 0.3190 

199 107-83-5 2-methylpentane (isohexane) 2.0374 

203 558-37-2 3,3-dimethyl-1-butene 0.0004 

206 563-16-6 3,3-dimethylhexane 0.0016 

208 562-49-2 3,3-dimethylpentane 0.0014 

215 926-82-9 3,5-dimethylheptane 0.0398 

230 563-45-1 3-methyl-1-butene 0.0179 

239 616-12-6 3-methyl-trans-2-pentene 0.0301 

242 1120-62-3 3-methylcyclopentene 0.4963 

244 589-81-1 3-methylheptane 0.0810 

245 589-34-4 3-methylhexane 0.2801 

247 2216-33-3 3-methyloctane 0.0011 

248 96-14-0 3-methylpentane 0.7169 

258 691-37-2 4-methyl-1-pentene 0.0032 

262 674-76-0 4-methyl-trans-2-pentene 0.0272 

264 589-53-7 4-methylheptane 0.0044 

267 2216-34-4 4-methyloctane 0.0006 

302 71-43-2 Benzene 2.7466 

352 638-04-0 Cis-1,3-dimethylcyclohexane 0.0007 

353 2532-58-3 Cis-1,3-dimethylcyclopentane 0.0110 

367 590-18-1 Cis-2-butene 0.0357 

368 6443-92-1 Cis-2-heptene 0.0011 

369 7688-21-3 Cis-2-hexene 0.0073 

371 627-20-3 Cis-2-pentene 0.2403 

385 110-82-7 Cyclohexane 0.0070 

388 110-83-8 Cyclohexene 0.0006 
SPECIES_ID CAS SPECIES_NAME WT_PER 

390 287-92-3 Cyclopentane 0.2032 

391 142-29-0 Cyclopentene 0.0236 

442 64-17-5 Ethyl alcohol 19.2668 

449 100-41-4 Ethylbenzene 1.6549 

491 75-28-5 Isobutane 0.6888 

497 115-11-7 Isobutylene (isobutene) 0.0006 

508 78-78-4 Isopentane (2-Methylbutane) 7.5862 

511 78-79-5 Isoprene (2-methyl-1,3-butadiene) 0.0012 

522 108-38-3; 106-42-3 M & p-xylene 4.5116 

548 1634-04-4 Methyl t-butyl ether (MTBE) 0.2813 

550 108-87-2 Methylcyclohexane 0.0201 

551 96-37-7 Methylcyclopentane 0.3148 

592 106-97-8 N-butane 17.2315 

596 104-51-8 N-butylbenzene 0.0242 

599 112-40-3 N-dodecane 0.0481 

600 142-82-5 N-heptane 0.2691 

601 110-54-3 N-hexane 0.7447 

604 111-65-9 N-octane 0.0569 

605 109-66-0 N-pentane 3.8661 

608 103-65-1 N-propylbenzene 0.0713 

620 95-47-6 O-xylene 1.6083 

671 74-98-6 Propane 0.3644 

717 108-88-3 Toluene 14.0058 

725 822-50-4 Trans-1,2-dimethylcyclopentane 0.0142 

737 624-64-6 Trans-2-butene 0.0138 

739 14686-13-6 Trans-2-heptene 0.0010 

740 4050-45-7 Trans-2-hexene 0.0181 

741 13389-42-9 Trans-2-octene 0.0004 

742 646-04-8 Trans-2-pentene 0.7540 

743 14686-14-7 Trans-3-heptene 0.0013 

744 13269-52-8 Trans-3-hexene 0.0040 

746 14850-23-8 Trans-4-octene 0.0009 

1649 162071-36-5 3-Ethylpentene 0.0006 

SUM 100.0000 

Profiles 8869-8871: 

Profiles 8869, 8870 and 8871 are headspace vapor profiles for 0% ethanol fuel (gasoline), 10% 

ethanol fuel and 15% ethanol fuel, respectively. Headspace profiles were developed for two 

fuels of each blend (E0, E10, and E15), and the average of the two profiles was calculated to 

create the combined profile for each blend. Individual fuel profiles and a more detailed 

methodology for collection of the headspace vapor can be found in the following document in 

Docket EPA-HQ-OAR-2011-0135: U.S. EPA, Hydrocarbon Composition of Gasoline Vapor 

Emissions from Enclosed Fuel Tanks, Draft Report No. 420-R-11-018. December 2011. 

 
SPECIES_ID CAS SPECIES_NAME E0_WT_PER E10_WT_PER E15_WT_PER 

3 538-93-2 (2-methylpropyl)benzene 0.0087 0.0248 0.0114 

19 590-66-9 1,1-DIMETHYLCYCLOHEXANE 0.0079 0.0073 0.0016 

20 1638-26-2 1,1-DIMETHYLCYCLOPENTANE 0.0577 0.0347 0.0117 

25 526-73-8 1,2,3-TRIMETHYLBENZENE 0.1364 0.3033 0.0000 

27 2815-57-8 1,2,3-TRIMETHYLCYCLOPENTANE 0.0057 0.0050 0.0000 

28 95-93-2 1,2,4,5-TETRAMETHYLBENZENE 0.0191 0.0822 0.0106 

30 95-63-6 1,2,4-TRIMETHYLBENZENE 0.3296 0.9187 0.3380 

31 2815-58-9 1,2,4-TRIMETHYLCYCLOPENTANE 0.0404 0.0391 0.0117 

37 933-98-2 1,2-DIMETHYL-3-ETHYLBENZENE 0.0207 0.0586 0.0153 

39 934-80-5 1,2-DIMETHYL-4-ETHYLBENZENE 0.0343 0.0983 0.0208 

44 108-67-8 1,3,5-TRIMETHYLBENZENE 0.1201 0.3256 0.1332 

52 2870-04-4 1,3-DIMETHYL-2-ETHYLBENZENE 0.1047 0.2274 0.0826 

60 1758-88-9 1,4-DIMETHYL-2-ETHYLBENZENE 0.1247 0.3558 0.1165 

63 98-19-1 1-(1,1-dimethylethyl)-3,5-dimethylbenzene 0.0056 0.0328 0.0050 

64 106-98-9 1-BUTENE 0.1184 0.0652 0.0636 

78 592-41-6 1-HEXENE 0.1930 1.2885 0.2487 

84 1074-17-5 1-Methyl-2-n-propylbenzene 0.0343 0.0980 0.0331 

100 1074-55-1 1-METHYL-4-N-PROPYLBENZENE 0.0431 0.1264 0.0373 

103 693-89-0 1-METHYLCYCLOPENTENE 0.2992 0.3416 0.4363 

106 124-11-8 1-NONENE 0.0000 0.0000 0.0594 

108 109-67-1 1-PENTENE 0.9301 0.9164 0.8408 

112 464-06-2 2,2,3-TRIMETHYLBUTANE 0.0794 0.0681 0.0748 

117 16747-26-5 2,2,4-TRIMETHYLHEXANE 0.0038 0.0088 0.0112 

118 540-84-1 2,2,4-TRIMETHYLPENTANE 5.7602 5.3981 4.7909 

121 3522-94-9 2,2,5-TRIMETHYLHEXANE 0.2630 0.2941 0.9060 

122 75-83-2 2,2-DIMETHYLBUTANE 0.7390 0.4343 0.0587 

126 590-35-2 2,2-DIMETHYLPENTANE 0.1858 0.1856 0.0622 

127 463-82-1 2,2-DIMETHYLPROPANE 0.1009 0.0364 0.0268 

130 565-75-3 2,3,4-TRIMETHYLPENTANE 0.8664 0.9429 2.4487 

132 1069-53-0 2,3,5-TRIMETHYLHEXANE 0.0391 0.0435 0.1196 

136 79-29-8 2,3-DIMETHYLBUTANE 1.6153 2.3822 1.8352 

138 584-94-1 2,3-DIMETHYLHEXANE 0.1809 0.2415 0.5755 

140 565-59-3 2,3-DIMETHYLPENTANE 0.5981 0.4636 0.5223 

141 107-39-1 2,4,4-TRIMETHYL-1-PENTENE 0.0989 0.1259 0.0257 

146 2213-32-3 2,4-DIMETHYL-1-PENTENE 0.0127 0.0132 0.0175 

148 2213-23-2 2,4-DIMETHYLHEPTANE 0.0097 0.0097 0.0161 

149 589-43-5 2,4-DIMETHYLHEXANE 0.2560 0.2679 0.4621 

152 108-08-7 2,4-DIMETHYLPENTANE 0.7413 0.6059 0.9913 

155 2216-30-0 2,5-DIMETHYLHEPTANE 0.0288 0.0351 0.0485 

156 592-13-2 2,5-DIMETHYLHEXANE 0.3899 0.4047 0.6588 

160 1072-05-5 2,6-DIMETHYLHEPTANE 0.0113 0.0111 0.0214 

162 2051-30-1 2,6-DIMETHYLOCTANE 0.0236 0.0710 0.0498 

181 563-46-2 2-METHYL-1-BUTENE 1.4371 1.3708 1.2674 

184 763-29-1 2-METHYL-1-PENTENE 0.3483 0.3158 0.4104 
SPECIES_ID CAS SPECIES_NAME E0_WT_PER E10_WT_PER E15_WT_PER 

185 513-35-9 2-METHYL-2-BUTENE 2.5076 2.5533 2.3767 

187 625-27-4 2-METHYL-2-PENTENE 0.4601 0.4848 0.5577 

189 609-26-7 2-METHYL-3-ETHYLPENTANE 0.0039 0.0058 0.0208 

193 592-27-8 2-METHYLHEPTANE 0.0446 0.0545 0.0382 

194 591-76-4 2-METHYLHEXANE 0.6847 0.6833 0.5462 

199 107-83-5 2-METHYLPENTANE 5.0613 11.0338 3.3747 

206 563-16-6 3,3-DIMETHYLHEXANE 0.0075 0.0062 0.0023 

208 562-49-2 3,3-DIMETHYLPENTANE 0.0850 0.0768 0.0317 

212 583-48-2 3,4-DIMETHYLHEXANE 0.0338 0.0416 0.1099 

217 15869-93-9 3,5-DIMETHYLOCTANE 0.0064 0.0163 0.0156 

230 563-45-1 3-METHYL-1-BUTENE 0.2457 0.2085 0.1935 

232 760-20-3 3-METHYL-1-PENTENE 0.2208 0.2444 0.2442 

237 4914-89-0 CIS-3-METHYL-3-HEXENE 0.0323 0.0616 0.0966 

244 589-81-1 3-METHYLHEPTANE 0.0421 0.0525 0.0419 

245 589-34-4 3-METHYLHEXANE 0.5324 0.5328 0.4237 

246 5911-04-6 3-METHYLNONANE 0.0033 0.0067 0.0085 

247 2216-33-3 3-METHYLOCTANE 0.0047 0.0081 0.0076 

248 96-14-0 3-METHYLPENTANE 3.7615 6.5965 2.1229 

257 3769-23-1 4-METHYL-1-HEXENE 0.0132 0.0172 0.0285 

264 589-53-7 4-METHYLHEPTANE 0.0147 0.0188 0.0146 

271 7385-82-2 TRANS-5-METHYL-2-HEXENE 0.0076 0.0113 0.0148 

302 71-43-2 BENZENE 0.7720 0.8709 1.0846 

350 7667-60-9 Cis,trans-1,2,4-trimethylcyclohexane 0.0331 0.0561 0.1149 

351 2207-01-4 Cis-1,2-dimethylcyclohexane 0.0007 0.0010 0.0000 

353 2532-58-3 CIS-1,3-DIMETHYLCYCLOPENTANE 0.1128 0.1025 0.0929 

367 590-18-1 CIS-2-BUTENE 0.4947 0.3211 0.3213 

369 7688-21-3 CIS-2-HEXENE 0.2632 0.2891 0.3364 

370 7642-04-8 Cis-2-OCTENE 0.0070 0.0081 0.0227 

371 627-20-3 CIS-2-PENTENE 1.1462 1.1693 1.0818 

372 7642-09-3 CIS-3-HEXENE 0.2812 0.2993 0.3391 

385 110-82-7 CYCLOHEXANE 2.1515 1.5724 0.4900 

390 287-92-3 CYCLOPENTANE 1.6332 0.4730 0.1955 

391 142-29-0 CYCLOPENTENE 0.3921 0.4516 0.4372 

442 64-17-5 ETHANOL 0.0000 6.4467 27.1853 

449 100-41-4 ETHYLBENZENE 0.4186 0.6864 0.6007 

451 1640-89-7 ETHYLCYCLOPENTANE 0.2560 0.2679 0.4621 

464 25550-14-5 Ethyltoluenes (methylethylbenzenes) 0.4108 1.0645 0.4660 

485 496-11-7 INDAN 0.0195 0.0432 0.0182 

491 75-28-5 ISOBUTANE 0.2472 0.1008 0.0983 

497 115-11-7 2-METHYLPROPENE (ISOBUTYLENE) 0.1388 0.0714 0.0799 

508 78-78-4 2-METHYLBUTANE (ISOPENTANE) 24.5893 10.2913 8.9647 

511 78-79-5 ISOPRENE 0.0257 0.0270 0.0267 

514 98-82-8 ISOPROPYLBENZENE (CUMENE) 0.0250 0.0591 0.0404 

522 108-38-3; 106-

42-3 M & P-XYLENE 1.4418 2.4267 2.0123 

550 108-87-2 METHYLCYCLOHEXANE 0.5468 0.3593 0.0755 
SPECIES_ID CAS SPECIES_NAME E0_WT_PER E10_WT_PER E15_WT_PER 

551 96-37-7 METHYLCYCLOPENTANE 2.5916 2.1390 1.3982 

592 106-97-8 N-BUTANE 5.4418 4.4550 5.7959 

598 124-18-5 N-DECANE 0.0487 0.1506 0.0110 

600 142-82-5 N-HEPTANE 0.3222 0.2895 0.1435 

601 110-54-3 N-HEXANE 6.0574 6.1600 2.1815 

603 111-84-2 N-NONANE 0.0081 0.0135 0.0175 

604 111-65-9 N-OCTANE 0.0478 0.0635 0.0274 

605 109-66-0 N-PENTANE 6.5570 3.1398 1.8924 

606 538-68-1 N-PENTYLBENZENE 0.0105 0.0271 0.0060 

608 103-65-1 N-PROPYLBENZENE 0.0519 0.1374 0.0602 

610 1120-21-4 N-UNDECANE 0.0114 0.0354 0.0075 

620 95-47-6 O-XYLENE 0.2945 0.5289 0.3449 

671 74-98-6 PROPANE 0.0172 0.0082 0.0067 

677 2040-96-2 Propylcyclopentane 0.0007 0.0010 0.0000 

717 108-88-3 TOLUENE 6.8651 5.2128 8.7886 

727 1759-58-6 TRANS-1,3-DIMETHYLCYCLOPENTANE 0.1292 0.1258 0.1168 

729 2207-04-7 Trans-1,4-dimethylcyclohexane 0.0145 0.0140 0.0029 

737 624-64-6 TRANS-2-BUTENE 0.5578 0.3201 0.3191 

740 4050-45-7 TRANS-2-HEXENE 0.4953 0.5359 0.6171 

742 646-04-8 TRANS-2-PENTENE 2.1229 2.1503 1.9777 

743 14686-14-7 TRANS-3-HEPTENE 0.0063 0.0151 0.0239 

744 13269-52-8 TRANS-3-HEXENE 0.3508 0.3754 0.4226 

981 68411-44-9 Butylbenzene 0.0135 0.0332 0.0150 

1153 922-61-2 3-methyl-2-pentene 0.3826 0.4006 0.4819 

1474 34522-19-5 trans-1-methyl-3-propylcyclohexane 0.0105 0.0271 0.0060 

1652 27133-93-3 Methylindane 0.0228 0.0557 0.0132 

1654 6434-77-1 CIS-2-NONENE 0.0036 0.0015 0.0007 

1655 1074-92-6 t-1-Butyl-2-Methylbenzene 0.0580 0.1283 0.0331 

1879 1759-81-5 4-Methylcyclopentene 0.0711 0.0799 0.0906 

2244 6434-78-2 TRANS-2-NONENE 0.0126 0.0229 0.0357 

2285 N/A UNKNOWN 1.8193 4.0992 2.4672 

SUM 100.0000 100.0000 100.0000