SUMMARY OF STATUS OF VOC REACTIVITY ... - CE-CERT

SUMMARY OF STATUS OF VOC REACTIVITY ESTIMATES AS OF 3/6/98
Table A-1. VOC Listing
William P. L. Carter
Statewide Air Pollution Research Center and
College of Engineering Center for Environmental Research and Technology
University of California, Riverside CA 92521
Phone (909) 781-5791, FAX (909) 781-5790, email carter@cert.ucr.edu
Compound or Mixture DMSname Represent. Notes and References [c] Reactivity Relative to Base ROG (gram basis) [d]
MIR [e]
Other 1997 Scales [f]
[a] [b] Unc Exp Notes Refs 1997 1991 ∆% MOIR EBIR MIR-I MOIR-I EBIR-I
Carbon Monoxide CO Explicit 1 1 1 5,12,15 0.016 0.017 -8% 0.029 0.037 0.015 0.025 0.032
Methane METHANE Explicit 1 5 1 1,2,5 0.004 0.005 -11% 0.007 0.009 0.004 0.005 0.007
Ethane ETHANE Explicit 1 2 1 3,5,12, 0.08 0.08 0% 0.15 0.19 0.07 0.10 0.13
13,34
Propane PROPANE Explicit 1 2 1 3,12 0.14 0.15 -8% 0.27 0.36 0.13 0.20 0.25
n-Butane N-C4 Explicit 1 1 1 3,12,15 0.29 0.32 -12% 0.55 0.68 0.26 0.40 0.46
n-Pentane N-C5 Explicit 2 5 2 3,10 0.36 0.33 8% 0.65 0.81 0.33 0.49 0.57
n-Hexane N-C6 Explicit 2 5 2 3,10 0.29 0.31 -7% 0.54 0.62 0.27 0.42 0.45
n-Heptane N-C7 Explicit 2 0 2 3 0.22 0.26 -15% 0.41 0.45 0.21 0.33 0.31
n-Octane N-C8 Explicit 2 1 2 3,12,15 0.17 0.19 -12% 0.34 0.30 0.16 0.26 0.18
n-Nonane N-C9 Explicit 2 5 2 3,10 0.14 0.17 -16% 0.28 0.23 0.13 0.23 0.12
n-Decane N-C10 Explicit 2 0 2 3 0.13 0.15 -14% 0.26 0.21 0.12 0.20 0.09
n-Undecane N-C11 Explicit 2 0 2 3 0.12 0.13 -13% 0.24 0.19 0.11 0.19 0.07
n-Dodecane N-C12 Explicit 2 1 2,24 3,18 0.10 0.12 -19% 0.22 0.16 0.09 0.17 0.04
n-Tridecane N-C13 Explicit 2 0 2 3 0.10 0.11 -15% 0.20 0.17 0.09 0.16 0.05
n-Tetradecane N-C14 Explicit 2 1 2,3,24 3,18 0.09 0.10 -13% 0.19 0.16 0.08 0.16 0.04
n-Pentadecane N-C15 Explicit 2 4 2,3,24 3,18,34 0.09 0.09 -8% 0.19 0.16 0.08 0.15 0.03
n-C16 N-C16 Explicit 2 0 2,3,24 3,18 0.08 0.09 -8% 0.18 0.16 0.07 0.14 0.04
Isobutane 2-ME-C3 Explicit 2 2 2 3,12 0.32 0.38 -15% 0.54 0.69 0.31 0.44 0.56
Iso-Pentane 2-ME-C4 Explicit 5 5 2,4 3,10 0.42 0.44 -5% 0.74 0.93 0.39 0.55 0.66
Neopentane 22-DM-C3 Explicit 5 5 2,4 3,10 0.16 0.12 38% 0.27 0.34 0.15 0.22 0.28
Branched C5 Alkanes BR-C5 2-ME-C4 5 0 2,4 3 0.42 0.44 -5% 0.74
2-Methyl Pentane 2-ME-C5 Explicit 5 0 2,4 3 0.46 0.48 -5% 0.79 0.95 0.43 0.59 0.65
3-Methylpentane 3-ME-C5 Explicit 5 0 2,4 3 0.49 0.48 1% 0.85 1.03 0.45 0.63 0.70
2,2-Dimethyl Butane 22-DM-C4 Explicit 5 0 2,4 3 0.31 0.26 18% 0.53 0.64 0.29 0.41 0.45
2,3-Dimethyl Butane 23-DM-C4 Explicit 3 5 2,4 3,10 0.30 0.34 -13% 0.52 0.64 0.29 0.44 0.53
Branched C6 Alkanes BR-C6 2-ME-C5 5 c 2,4 3 0.46 0.48 -5% 0.79
2,4-Dimethyl Pentane 24-DM-C5 Explicit 5 0 2,4 3 0.42 0.56 -26% 0.70 0.84 0.39 0.55 0.62
3-Methyl Hexane 3-ME-C6 Explicit 5 0 2,4 3 0.43 0.44 -3% 0.73 0.82 0.40 0.54 0.55
2,3-Dimethyl Pentane 23-DM-C5 Explicit 5 0 2,4 3 0.36 0.48 -25% 0.63 0.74 0.34 0.49 0.54
Page 1 of 11

SUMMARY OF STATUS OF VOC REACTIVITY ESTIMATES AS OF 3/6/98
Compound or Mixture DMSname Represent. Notes and References [c] Reactivity Relative to Base ROG (gram basis) [d]
MIR [e]
Other 1997 Scales [f]
[a] [b] Unc Exp Notes Refs 1997 1991 ∆% MOIR EBIR MIR-I MOIR-I EBIR-I
2,2,3-Trimethyl Butane 223TM-C4 Explicit 5 0 2,4 3 0.34 0.42 -18% 0.55 0.68 0.33 0.47 0.57
Branched C7 Alkanes BR-C7 3-ME-C6 5 0 2,4 3 0.43 0.44 -3% 0.73
2-Methyl Heptane 2-ME-C7 Explicit 5 0 2,4 3 0.30 0.30 0% 0.53 0.57 0.29 0.41 0.39
3-Methyl Heptane 3-ME-C7 Explicit 5 0 2,4 3 0.33 0.31 4% 0.56 0.63 0.31 0.44 0.43
4-Methyl Heptane 4-ME-C7 Explicit 5 0 2,4 3 0.35 0.38 -8% 0.59 0.64 0.33 0.45 0.42
2,3-Dimethyl Hexane 23-DM-C6 Explicit 5 0 2,4 3 0.35 0.42 -16% 0.60 0.68 0.33 0.47 0.49
2,4-Dimethyl Hexane 24-DM-C6 Explicit 5 0 2,4 3 0.51 0.48 7% 0.82 0.97 0.48 0.65 0.71
2,5-Dimethyl Hexane 25-DM-C6 Explicit 5 0 2,4 3 0.50 0.52 -3% 0.82 0.99 0.48 0.65 0.74
2,2,4-Trimethyl Pentane 224TM-C5 Explicit 3 2 2,4 3,12 0.33 0.29 12% 0.53 0.61 0.31 0.43 0.48
2,3,4-Trimethyl Pentane 234TM-C5 Explicit 5 0 2,4 3 0.35 0.51 -31% 0.60 0.69 0.33 0.48 0.51
2,2,3,3-Tetramethyl Butane 2233M-C4 Explicit 5 0 2,4 3 0.11 0.11 -1% 0.20 0.23 0.11 0.16 0.18
Branched C8 Alkanes BR-C8 4-ME-C7 5 0 2,4 3 0.35 0.38 -8% 0.59
2,4-Dimethyl Heptane 24-DM-C7 Explicit 8 0 2,4 3 0.44 0.42 5% 0.72 0.81 0.42 0.57 0.58
4-Ethyl Heptane 4-ET-C7 Explicit 8 0 2,4 3 0.34 0.36 -6% 0.57 0.61 0.32 0.43 0.38
2,2,5-Trimethyl Hexane 225TM-C6 Explicit 8 0 2,4 3 0.33 0.31 8% 0.56 0.61 0.31 0.43 0.42
Branched C9 Alkanes BR-C9 4-ET-C7 8 0 2,4,7 3 0.34 0.36 -6% 0.57
3,4-Propyl Heptane 4-PR-C7 Explicit 8 0a 2,4 3,27 0.30 0.32 -7% 0.49 0.53 0.28 0.38 0.32
Branched C10 Alkanes BR-C10 4-PR-C7 8 a 2,4,7 27 0.30 0.32 -7% 0.49
3,5-Diethyl Heptane 35-DE-C7 Explicit 8 0a 2,4 3,27 0.45 0.37 21% 0.70 0.81 0.43 0.56 0.57
Branched C11 alkanes BR-C11 35-DE-C7 8 a 2,4,7 27 0.45 0.37 21% 0.70
2,6-Diethyl Octane 36-DE-C8 Explicit 8 0a 2,4 3,27 0.34 0.39 -13% 0.55 0.63 0.32 0.44 0.42
Branched C12 Alkanes BR-C12 36-DE-C8 8 a 2,4,7 27 0.34 0.39 -13% 0.55
3,7-Diethyl Nonane 37-DE-C9 Explicit 8 0a 2,4 3,27 0.34 0.30 11% 0.53 0.58 0.32 0.42 0.37
Branched C13 Alkanes BR-C13 37-DE-C9 8 a 2,4,7 27 0.34 0.30 11% 0.53
3,8-Diethyl Decane 38DE-C10 Explicit 8 0 2,4 3 0.20 0.24 -16% 0.34 0.37 0.19 0.29 0.24
Branched C14 Alkanes BR-C14 38DE-C10 8 0 2,4,7 27 0.20 0.24 -16% 0.34
3,9-Diethyl Undecane 39DE-C11 Explicit 8 0 2,4 3 0.17 0.22 -22% 0.30 0.32 0.16 0.25 0.19
Branched C15 Alkanes BR-C15 39DE-C11 8 0 2,4,7 0.17 0.22 -22% 0.30
Branched C16 Alkanes BR-C16 39DE-C11 8 0 2,4,7 0.16 0.21 -22% 0.28
Branched C17 Alkanes BR-C17 39DE-C11 8 0 2,4,7 0.15 0.19 -22% 0.26
Branched C18 Alkanes BR-C18 39DE-C11 8 0 2,4,7 0.14 0.18 -22% 0.25
Cyclopropane CYCC3 Explicit 5 0 2,5 3 0.02 0.05 0.06 0.02 0.03 0.04
Cyclobutane CYCC4 Explicit 5 0 2,5 3 0.28 0.55 0.70 0.26 0.37 0.43
Cyclopentane CYCC5 Explicit 3 0 2,6 3 0.65 0.75 -14% 1.14 1.39 0.61 0.84 0.99
Methylcyclopentane ME-CYCC5 Explicit 3 0 2,6 3 0.80 0.89 -11% 1.26 1.48 0.76 0.96 1.04
Cyclohexane CYCC6 Explicit 3 1b 2,6 3,31 0.41 0.41 2% 0.71 0.79 0.39 0.54 0.56
C6 Cycloalkanes CYC-C6 CYCC6 3 c 2,6 0.41 0.41 2% 0.71
Page 2 of 11

SUMMARY OF STATUS OF VOC REACTIVITY ESTIMATES AS OF 3/6/98
Compound or Mixture DMSname Represent. Notes and References [c] Reactivity Relative to Base ROG (gram basis) [d]
MIR [e]
Other 1997 Scales [f]
[a] [b] Unc Exp Notes Refs 1997 1991 ∆% MOIR EBIR MIR-I MOIR-I EBIR-I
Methylcyclohexane ME-CYCC6 Explicit 3 5 2,6 3,9 0.48 0.58 -18% 0.78 0.85 0.45 0.59 0.56
1,3-Dimeth. Cyclopentane 13DMCYC5 Explicit 5 0 2,6 3 0.73 0.81 -9% 1.12 1.28 0.70 0.86 0.87
Ethyl Cyclopentane ET-CYCC5 Explicit 5 0 2,6 3 0.73 0.73 -1% 1.14 1.32 0.69 0.85 0.86
C7 Cycloalkanes CYC-C7 ME-CYCC6 5 0 2,6 0.48 0.58 -18% 0.78
Propyl Cyclopentane PR-CYCC5 Explicit 6 0 2,6 3 0.60 0.65 -8% 0.95 1.06 0.57 0.71 0.66
Ethylcyclohexane ET-CYCC6 Explicit 6 0 2,6 3 0.42 0.61 -32% 0.69 0.72 0.40 0.52 0.44
1,3-Dimethyl Cyclohexane 13DMCYC6 Explicit 6 0 2,6 3 0.47 0.66 -29% 0.75 0.82 0.45 0.58 0.53
C8 Cycloalkanes CYC-C8 ET-CYCC6 6 0 2,6 0.42 0.61 -32% 0.69
1-Eth.-4-Meth. Cyclohex. 1E4MCYC6 Explicit 6 0 2,6 3 0.46 0.73 -36% 0.74 0.79 0.44 0.56 0.48
C9 Cycloalkanes CYC-C9 1E4MCYC6 6 0 2,6,7 0.46 0.73 -36% 0.74
1,3-Diethyl-Cyclohexane 13DECYC6 Explicit 8 0a 2,6 3,27 0.38 0.56 -34% 0.61 0.63 0.36 0.46 0.37
C10 Cycloalkanes CYC-C10 13DECYC6 8 a 2,6,7 27 0.38 0.56 -34% 0.61
13-Dieth-5-Me. Cyclohex. 13E5MCC6 Explicit 8 0a 2,6 3,27 0.43 0.60 -29% 0.65 0.73 0.41 0.51 0.46
C11 Cycloalkanes CYC-C11 13E5MCC6 8 a 2,6,7 27 0.43 0.60 -29% 0.65
1,3,5-Triethyl Cyclohex. 135ECYC6 Explicit 8 0a 2,6 3,27 0.40 0.53 -24% 0.62 0.70 0.39 0.49 0.43
Hexyl Cyclohexane C6-CYCC6 Explicit 8c 1b 2,6 27,31 0.20 0.36 0.36 0.19 0.28 0.18
C12 Cycloalkanes CYC-C12 135ECYC6 8 a 2,6,7 27 0.40 0.53 -24% 0.62
13-Dieth-5-Pent Cyclohx. 13E5PCC6 Explicit 8 0a 2,6 3,27 0.37 0.45 -18% 0.57 0.64 0.35 0.45 0.39
C13 Cycloalkanes CYC-C13 13E5PCC6 8 a 2,6,7 27 0.37 0.45 -18% 0.57
13-Diprop-5-Eth Cyclohx. 13P5ECC6 Explicit 8 0a 2,6 3,27 0.34 0.39 -12% 0.53 0.58 0.33 0.42 0.35
Octyl Cyclohexane C8-CYCC6 Explicit 8c 2b 2,6 3,27,31 0.15 0.28 0.28 0.15 0.23 0.13
C14 Cycloalkanes CYC-C14 13P5ECC6 8 a 2,6,7 27 0.34 0.39 -12% 0.53
135-Tripropyl Cyclohex. 135PCYC6 Explicit 8 0 2,6 3 0.32 0.34 -7% 0.49 0.53 0.30 0.40 0.32
C15 Cycloalkanes CYC-C15 135PCYC6 8 0 2,6,7 0.32 0.34 -7% 0.49
C9 Bicycloalkanes BCYC-C9 1E4MCYC6 10 0 2,6,7 0.47 0.74 -36% 0.75
C10 Bicycloalkanes BCYC-C10 13DECYC6 10 0 2,6,7 0.38 0.57 -34% 0.61
C11 Bicycloalkanes BCYC-C11 13E5MCC6 10 0 2,6,7 0.43 0.61 -29% 0.66
C12 Bicycloalkanes BCYC-C12 135ECYC6 10 0 2,6,7 0.41 0.54 -24% 0.63
C13 Bicycloalkanes BCYC-C13 13E5PCC6 10 0 2,6,7 0.37 0.46 -18% 0.57
C14 Bicycloalkanes BCYC-C14 13P5ECC6 10 0 2,6,7 0.35 0.39 -12% 0.53
C15 Bicycloalkanes BCYC-C15 135PCYC6 10 0 2,6,7 0.32 0.34 -7% 0.50
Ethene ETHENE Explicit 2b 1 1 10,12,15 2.05 2.31 -11% 2.31 2.62 2.01 2.23 2.59
Propene PROPENE Explicit 2 1 1 10,12,15 2.72 2.98 -9% 2.90 3.40 2.74 2.86 3.23
1-Butene 1-BUTENE Explicit 2 3 8 9b,10,12 2.61 2.82 -8% 2.88 3.43 2.63 2.72 3.06
3-Methyl-1-Butene 3M-1-BUT Explicit 3 0 8 1.78 1.97 -10% 2.01 2.29 1.78 1.83 1.88
1-Pentene 1-PENTEN Explicit 3 0 8,9 1.78 1.97 -10% 2.01 2.29 1.78 1.83 1.88
C5 Terminal Alkanes C5-OLE1 1-PENTEN 3 0 8,9 1.78 1.97 -10% 2.01
Page 3 of 11

SUMMARY OF STATUS OF VOC REACTIVITY ESTIMATES AS OF 3/6/98
Compound or Mixture DMSname Represent. Notes and References [c] Reactivity Relative to Base ROG (gram basis) [d]
MIR [e]
Other 1997 Scales [f]
[a] [b] Unc Exp Notes Refs 1997 1991 ∆% MOIR EBIR MIR-I MOIR-I EBIR-I
1-Hexene 1-HEXENE Explicit 3 3 8,9 9b 1.40 1.40 0% 1.59 1.79 1.40 1.44 1.41
C6 Terminal Alkanes C6-OLE1 1-HEXENE 3 c 8,9 1.40 1.40 0% 1.59
1-Heptene 1-C7-OLE Explicit 5 0 8,9 1.12 1.10 2% 1.28 1.43 1.12 1.15 1.08
C7 Terminal Alkanes C7-OLE1 1-C7-OLE 5 0 8,9 1.12 1.10 2% 1.28
1-Octene 1-C8-OLE Explicit 5 0 8,9 0.89 0.85 5% 1.04 1.14 0.88 0.92 0.80
C8 Terminal Alkanes C8-OLE1 1-C8-OLE 5 0 8,9 0.89 0.85 5% 1.04
1-Nonene 1-C9-OLE Explicit 5 0 8,9 0.74 0.71 5% 0.87 0.94 0.73 0.76 0.63
C9 Terminal Alkanes C9-OLE1 1-C9-OLE 5 0 8,9 0.74 0.71 5% 0.87
Isobutene ISOBUTEN Explicit 3 2 8,10 10,12 1.42 1.68 -16% 1.32 1.42 1.47 1.52 1.64
2-Methyl-1-Butene 2M-1-BUT Explicit 5 0 8,11 1.32 1.55 -15% 1.38 1.53 1.34 1.44 1.54
2-Methyl-1-Pentene 2M-1-PEN 2M-1-BUT 5 0 8,11 1.10 1.15
233-Trimethyl-1-butene 233TM-1B 2M-1-BUT 5 0 8,11 0.95 0.99
trans-2-Butene T-2-BUTE Explicit 2 1 1 10,12,15 3.24 3.15 3% 3.14 3.63 3.33 3.46 3.88
cis-2-Butene C-2-BUTE Explicit 2 5 1 10 3.11 3.15 -1% 3.11 3.66 3.20 3.31 3.71
C4 Internal Alkenes C4-OLE2 T-2-BUTE 2 a 1 3.24 3.15 3% 3.14
trans-2-Pentene T-2-PENT 2-C5-OLE 3 0 8,9,11 2.84 2.81
cis-2-Pentene C-2-PENT 2-C5-OLE 3 0 8,9,11 2.84 2.81
2-Methyl-2-Butene 2M-2-BUT Explicit 3 0 8,9,11 2.74 2.03 35% 2.39 2.50 2.87 3.01 3.30
2-Pentenes 2-C5-OLE Explicit 3 0 8,9,11 2.84 2.79 2% 2.81 3.21 2.90 2.99 3.25
C5 Internal Alkenes C5-OLE2 2-C5-OLE 5 0 7,8,9,11 2.84 2.79 2% 2.81
2-Methyl-2-Pentene 2M-2-PEN 2M-2-BUT 5 0 8,9,11 2.29 1.98
2,3-Dimethyl-2-Butene 23M2-BUT Explicit 5 0 8,9,11 2.66 2.09 1.96 2.81 3.06 3.42
2-Hexenes 2-C6-OLE Explicit 5 0 8,9,11 2.27 2.12 7% 2.27 2.57 2.33 2.41 2.57
C6 Internal Alkenes C6-OLE2 2-C6-OLE 5 0 7,8,9,11 2.27 2.12 7% 2.27
2-Heptenes 2-C7-OLE Explicit 5 0 8,9,11 1.89 1.75 8% 1.89 2.13 1.94 2.01 2.11
C7 Internal Alkenes C7-OLE2 2-C7-OLE 5 0 7,8,9,11 1.89 1.75 8% 1.89
3-Octenes 3-C8-OLE Explicit 5 0 8,9,11 1.81 1.67 8% 1.86 2.13 1.83 1.90 1.98
C8 Internal Alkenes C8-OLE2 3-C8-OLE 5 0 7,8,9,11 1.81 1.67 8% 1.86
3-Nonenes 3-C9-OLE Explicit 5 0 8,9,11 1.56 1.45 8% 1.62 1.83 1.59 1.66 1.70
C9 Internal Alkenes C9-OLE2 3-C9-OLE 5 0 7,8,9,11 1.56 1.45 8% 1.62
C10 3-Alkenes 3C10-OLE Explicit 5 0 8,9,11 1.38 1.28 7% 1.42 1.60 1.40 1.46 1.48
C10 Internal Alkenes C10-OLE2 3C10-OLE 5 0 7,8,9,11 1.38 1.28 7% 1.42
C11 3-Alkenes 3C11-OLE Explicit 5 0 8,9,11 1.24 1.15 8% 1.28 1.45 1.26 1.32 1.33
C11 Internal Alkenes C11-OLE2 3C11-OLE 5 0 7,8,9,11 1.24 1.15 8% 1.28
C12 2-Alkenes 2C12-OLE 3C12-OLE 5 0 8,9,11 1.13 1.17
C12 3-Alkenes 3C12-OLE Explicit 5 0 8,9,11 1.13 1.05 8% 1.17 1.33 1.15 1.21 1.22
C12 Internal Alkenes C12-OLE2 3C12-OLE 5 0 7,8,9,11 1.13 1.05 8% 1.17
Page 4 of 11

SUMMARY OF STATUS OF VOC REACTIVITY ESTIMATES AS OF 3/6/98
Compound or Mixture DMSname Represent. Notes and References [c] Reactivity Relative to Base ROG (gram basis) [d]
MIR [e]
Other 1997 Scales [f]
[a] [b] Unc Exp Notes Refs 1997 1991 ∆% MOIR EBIR MIR-I MOIR-I EBIR-I
C13 3-Alkenes 3C13-OLE Explicit 5 0 8,9,11 1.04 0.96 8% 1.07 1.23 1.05 1.12 1.12
C13 Internal Alkenes C13-OLE2 3C13-OLE 5 0 7,8,9,11 1.04 0.96 8% 1.07
1,3-Butadiene 13-BUTDE Explicit 10 0 12 3.08 3.45 -11% 3.28 3.91 3.13 3.20 3.62
Cyclopentadiene CYC-PNDE 2-C5-OLE 10 0 12 3.01 2.96 2% 2.98
Isoprene ISOPRENE Explicit 2 1 13 32,33 2.30 2.87 -20% 2.46 2.91 2.36 2.47 2.80
Cyclopentene CYC-PNTE Explicit 5 0 14 2.21 2.43 -9% 1.94 1.99 2.30 2.49 2.74
Cyclohexene CYC-HEXE Explicit 5 0 14 1.40 1.79 -22% 1.52 1.81 1.42 1.51 1.62
a-Pinene A-PINENE Explicit 3 3 14,15 31 0.96 1.04 -8% 0.95 1.06 0.97 1.05 1.06
b-Pinene B-PINENE Explicit 3 3 14,15 31 0.47 1.40 -66% 0.55 0.60 0.48 0.54 0.47
d-Limonene D-LIMONE Explicit 4 3 14,15 31 0.72 0.74 0.81 0.73 0.80 0.78
3-Carene 3-CARENE Explicit 4 3 14,15 31 0.60 1.04 -42% 0.72 0.82 0.60 0.68 0.64
Sabinene SABINENE Explicit 5 0 14,15 0.53 0.57 0.61 0.53 0.59 0.53
C6 Cyclic or di-olefins C6-OL2D 2-C6-OLE 10 0 7,12 2.33 2.17 7% 2.32
C7 Cyclic or di-olefins C7-OL2D 2-C7-OLE 10 0 7,12 1.93 1.79 8% 1.93
C8 Cyclic or di-olefins C8-OL2D 3-C8-OLE 10 0 7,12 1.84 1.70 8% 1.89
C9 Cyclic or di-olefins C9-OL2D 3-C9-OLE 10 0 7,12 1.59 1.47 8% 1.65
C10 Cyclic or di-olefins C10-OL2D 3C10-OLE 10 0 7,12 1.40 1.30 7% 1.44
C11 Cyclic or di-olefins C11-OL2D 3C11-OLE 10 0 7,12 1.26 1.17 8% 1.30
C12 Cyclic or di-olefins C12-OL2D 3C12-OLE 10 0 7,12 1.14 1.06 8% 1.19
C13 Cyclic or di-olefins C13-OL2D 3C13-OLE 10 0 7,12 1.05 0.97 8% 1.09
Benzene BENZENE Explicit 5 1d 16 9a,12,22 0.20 0.13 46% 0.17 0.07 0.18 0.18 0.09
Toluene TOLUENE Explicit 3 1e 16 9a,10, 1.26 0.86 46% 0.87 0.24 1.20 1.06 0.58
12,15,22
Ethyl Benzene C2-BENZ Explicit 3 2e 16 12,22 0.55 0.85 -35% 0.24 -0.35 0.53 0.46 0.06
n-Propyl Benzene N-C3-BEN Explicit 5 0 17 0.44 0.67 -34% 0.18 -0.30 0.42 0.36 0.03
Isopropyl Benzene I-C3-BEN Explicit 5 0 17 0.46 0.71 -34% 0.19 -0.30 0.44 0.39 0.04
C9 Monosub. Benzenes C9-BEN1 TOLUENE 5 0 17 0.49 0.66 -26% 0.21
s-Butyl Benzene S-C4-BEN Explicit 5 0 17 0.39 0.60 -34% 0.16 -0.27 0.38 0.33 0.03
n-Butyl Benzene N-C4-BEN TOLUENE 5 0 17 0.44 0.19
C10 Monosub. Benzenes C10-BEN1 TOLUENE 5 0 17 0.44 0.59 -26% 0.19
C11 Monosub. Benzenes C11-BEN1 TOLUENE 5 0 17 0.40 0.54 -26% 0.17
C12 Monosub. Benzenes C12-BEN1 TOLUENE 5 0 17 0.36 0.49 -26% 0.15
C13 Monosub. Benzenes C13-BEN1 TOLUENE 5 0 17 0.33 0.45 -26% 0.14
o-Xylene O-XYLENE Explicit 3 2e 16 10,12,22 2.08 2.05 2% 1.63 1.23 2.07 1.94 1.58
p-Xylene P-XYLENE Explicit 3 2e 16 12,22 0.71 2.09 -66% 0.46 0.04 0.71 0.68 0.38
m-Xylene M-XYLENE Explicit 3 1e 16 9,10,12,
15,22
3.49 2.58 35% 2.75 2.38 3.56 3.31 2.97
Page 5 of 11

SUMMARY OF STATUS OF VOC REACTIVITY ESTIMATES AS OF 3/6/98
Compound or Mixture DMSname Represent. Notes and References [c] Reactivity Relative to Base ROG (gram basis) [d]
MIR [e]
Other 1997 Scales [f]
[a] [b] Unc Exp Notes Refs 1997 1991 ∆% MOIR EBIR MIR-I MOIR-I EBIR-I
C8 Disub. Benzenes C8-BEN2 M-XYLENE 3 c 18 3.49 2.58 35% 2.75
C9 Disub. Benzenes C9-BEN2 M-XYLENE 5 0 18 3.08 2.28 35% 2.42
C10 Disub. Benzenes C10-BEN2 M-XYLENE 5 0 18 2.76 2.04 35% 2.17
C11 Disub. Benzenes C11-BEN2 M-XYLENE 5 0 18 2.50 1.85 35% 1.96
C12 Disub. Benzenes C12-BEN2 M-XYLENE 5 0 18 2.28 1.69 35% 1.79
C13 Disub. Benzenes C13-BEN2 M-XYLENE 5 0 18 2.10 1.65
1,3,5-Trimethyl Benzene 135-TMB Explicit 4 2e 16 9a,10, 3.37 3.20 5% 2.58 2.30 3.54 3.42 3.27
12,22
1,2,3-Trimethyl Benzene 123-TMB Explicit 4 2e 16 12,22 3.03 2.80 8% 2.36 2.08 3.13 2.98 2.77
1,2,4-Trimethyl Benzene 124-TMB Explicit 4 2e 16 12,22 1.31 2.80 -53% 0.96 0.61 1.36 1.31 1.06
C9 Trisub. Benzenes C9-BEN3 135-TMB 4 c 18 3.37 3.20 5% 2.58
C10 Trisub. Benzenes C10-BEN3 135-TMB 5a 0 18 3.02 2.87 5% 2.31
C11 Trisub. Benzenes C11-BEN3 135-TMB 5a 0 18 2.73 2.60 5% 2.09
C12 Trisub. Benzenes C12-BEN3 135-TMB 5a 0 18 2.49 2.37 5% 1.91
C13 Trisub. Benzenes C13-BEN3 135-TMB 5a 0 18 2.30 1.76
C10 Tetrasub. Benzenes C10-BEN4 135-TMB 5a 0 18 3.02 2.87 5% 2.31
C11 Tetrasub. Benzenes C11-BEN4 135-TMB 5a 0 18 2.73 2.60 5% 2.09
C12 Tetrasub. Benzenes C12-BEN4 135-TMB 5a 0 18 2.49 2.37 5% 1.91
C11 Pentasub. Benzenes C11-BEN5 135-TMB 5a 0 18 2.73 2.60 5% 2.09
C11 Pentasub. Benzenes C12-BEN5 135-TMB 5a 0 18 2.49 2.37 5% 1.91
C12 Hexaasub. Benzenes C12-BEN6 135-TMB 5a 0 18 2.49 2.37 5% 1.91
Tetralin TETRALIN Explicit 5 3f 19 9a,10 0.26 0.30 -14% 0.08 -0.27 0.26 0.24 -0.05
Indan INDAN TETRALIN 7 0 20 0.29 0.34 -14% 0.09
C11 Tetralin or Indane C11-TET TETRALIN 7 0 20 0.23 0.27 -14% 0.08
Naphthalene NAPHTHAL Explicit 5 3f 19 9a,10 0.31 0.37 -17% 0.04 -0.46 0.30 0.24 -0.17
Methyl Naphthalenes ME-NAPH Explicit 7 0 21 0.78 1.04 -24% 0.46 0.04 0.80 0.70 0.31
C12 Monosub. Naphth. C12-NAP1 ME-NAPH 7 0 21 0.71 0.94 -24% 0.42
C13 Monosub. Naphth. C13-NAP1 ME-NAPH 7 0 21 0.66 0.87 -24% 0.38
2,3-Dimethyl Naphth. 23-DMN Explicit 5 3f 19 9a,10 1.19 1.62 -27% 0.81 0.46 1.24 1.13 0.77
Dimethyl Naphthalenes DM-NAPH 23-DMN 6 0 22 1.19 1.62 -27% 0.81
C12 Disub. Naphthalenes C12-NAP2 23-DMN 6 0 22 1.19 1.62 -27% 0.81
C13 Disub. Naphthalenes C13-NAP2 23-DMN 6 0 8 1.09 1.49 -27% 0.74
C13 Trisub. Naphthalenes C13-NAP3 23-DMN 6 0 8 1.09 1.49 -27% 0.74
Styrene STYRENE Explicit 5 7 23 0.56 0.70 -20% -0.38 -2.28 0.56 0.16 -1.14
a-Methyl Styrene AME-STYR STYRENE 6 0 8 0.49 0.62 -20% -0.33
C9 Styrenes C9-STYR STYRENE 6 0 8 0.49 0.62 -20% -0.33
C10 Styrenes C10-STYR STYRENE 6 0 8 0.44 0.55 -20% -0.30
Page 6 of 11

SUMMARY OF STATUS OF VOC REACTIVITY ESTIMATES AS OF 3/6/98
Compound or Mixture DMSname Represent. Notes and References [c] Reactivity Relative to Base ROG (gram basis) [d]
MIR [e]
Other 1997 Scales [f]
[a] [b] Unc Exp Notes Refs 1997 1991 ∆% MOIR EBIR MIR-I MOIR-I EBIR-I
Acetylene ACETYLEN Explicit 9 1 24-26 24 0.09 0.16 -45% 0.13 0.15 0.08 0.11 0.12
Methyl Acetylene ME-ACTYL Explicit 10 0 27 1.23 1.30 -5% 1.97 2.48 1.15 1.44 1.71
Ethyl Acetylene ET-ACTYL 1-BUTENE 10 0 27 2.71 2.93 -8% 2.99
Methanol MEOH Explicit 2b 2 1 10,12 0.16 0.18 -12% 0.20 0.22 0.15 0.18 0.20
Ethanol ETOH Explicit 1 2 1 12 0.42 0.42 -1% 0.66 0.79 0.39 0.48 0.51
n-Propyl Alcohol N-C3-OH Explicit 2 0 1 0.67 0.71 -6% 1.02 1.24 0.62 0.74 0.81
Isopropyl Alcohol I-C3-OH Explicit 2 1 1 12,31 0.18 0.17 5% 0.27 0.35 0.17 0.25 0.30
Isobutyl Alcohol I-C4-OH Explicit 3 0 28 0.55 0.61 -9% 0.80 0.99 0.52 0.64 0.71
n-Butyl Alcohol N-C4-OH Explicit 5 0 28 0.79 0.85 -7% 1.15 1.40 0.74 0.88 0.98
t-Butyl Alcohol T-C4-OH Explicit 2 1 28 20 0.10 0.13 -25% 0.15 0.18 0.09 0.13 0.15
s-Butyl Alcohol S-C4-OH Explicit 3 0 28 0.39 0.85 -54% 0.62 0.78 0.37 0.50 0.57
1-Octyl Alcohol 1-C8-OH Explicit 8c 1b 29-31 31 0.42 0.62 0.74 0.41 0.52 0.54
2-Octyl Alcohol 2-C8-OH Explicit 8c 1b 29-31 31 0.22 0.37 0.43 0.21 0.31 0.30
3-Octyl Alcohol 3-C8-OH Explicit 8c 1b 29-31 31 0.22 0.36 0.42 0.21 0.31 0.30
Pentyl Alcohol C5OH Explicit 5 0 28,32 0.60 0.50 19% 0.91 1.13 0.57 0.71 0.82
1-Heptanol 1-C7OH Explicit 6 0 28,32 0.45 0.36 23% 0.69 0.85 0.43 0.56 0.63
2-Ethyl-1-Hexanol 2-ETC6OH Explicit 6 0 28,32 0.42 0.39 7% 0.66 0.81 0.40 0.54 0.60
Ethylene Glycol ET-GLYCL Explicit 3 0 1 0.56 0.61 -8% 0.83 1.00 0.52 0.61 0.66
Propylene Glycol PR-GLYCL Explicit 1 1 24 23 0.61 0.49 24% 0.84 1.05 0.58 0.69 0.79
1,2-Butandiol 12-C4OH2 Explicit 2 0 28 0.41 0.43 -4% 0.60 0.75 0.39 0.49 0.55
1,2-Dihydroxy Hexane C6-GLYCL Explicit 5 0 28,32 0.41 0.43 -4% 0.59 0.73 0.40 0.49 0.55
Dimethyl Ether ME-O-ME Explicit 2 4 33 12 0.22 0.24 -9% 0.43 0.60 0.22 0.35 0.51
Diethyl Ether ET-O-ET Explicit 3 1b 29,30,31 31 0.91 0.84 8% 1.20 1.43 0.90 1.10 1.35
Methyl t-Butyl Ether MTBE Explicit 1 2 33 12 0.18 0.20 -10% 0.31 0.41 0.17 0.27 0.34
Ethyl Isopropyl Ether S-098106 Explicit 4 0 28 0.89 0.85 4% 1.12 1.36 0.89 1.07 1.33
Alpha Methyl Tetrahydrofuran AM-THF Explicit 5 0 29 1.27 1.70 2.11 1.26 1.45 1.74
Ethyl t-Butyl Ether ETBE Explicit 5 7 28 0.53 0.63 -16% 0.74 0.92 0.52 0.68 0.85
2-Butyltetrahydrofuran S-098108 Explicit 6 0 27 0.90 0.77 18% 1.24 1.55 0.88 1.05 1.24
Dibutyl Ether S-098107 Explicit 5 0 28 0.71 0.24 191% 1.03 1.26 0.68 0.82 0.91
2-Methoxy-Ethanol MEO-ETOH Explicit 5 0 28 0.75 1.21 -38% 0.94 1.13 0.74 0.85 0.99
2-Ethoxy-Ethanol ETO-ETOH Explicit 4 2 33 12 0.90 1.05 -14% 1.08 1.29 0.90 1.02 1.21
1-Methoxy-2-Propanol MEOC3OH Explicit 5 1b 29,31 31 0.59 0.81 1.03 0.58 0.70 0.84
1-Ethoxy-2-Propanol ETOC3OH Explicit 5 0 28 0.57 0.64 -11% 0.79 0.96 0.56 0.68 0.80
2-Butoxy-Ethanol BUO-ETOH Explicit 9c 1b 29,31 31 0.57 0.47 22% 0.81 0.96 0.55 0.66 0.72
2-(2-Ethoxyethoxy) Ethanol CARBITOL Explicit 4 2 33 12 0.59 0.41 43% 0.76 0.93 0.59 0.69 0.80
2-(2-Butoxyethoxy)-Ethanol C8-CELSV Explicit 6 0 28 0.46 0.27 72% 0.61 0.72 0.46 0.54 0.58
Methyl Acetate ME-ACET Explicit 1 1 24 19 0.03 0.03 -1% 0.06 0.08 0.02 0.04 0.06
Page 7 of 11

SUMMARY OF STATUS OF VOC REACTIVITY ESTIMATES AS OF 3/6/98
Compound or Mixture DMSname Represent. Notes and References [c] Reactivity Relative to Base ROG (gram basis) [d]
MIR [e]
Other 1997 Scales [f]
[a] [b] Unc Exp Notes Refs 1997 1991 ∆% MOIR EBIR MIR-I MOIR-I EBIR-I
Methyl Acrylate ME-ACRYL 1-BUTENE 10 0 27 1.70 1.84 -8% 1.88
Vinyl Acetate VIN-ACET 1-BUTENE 10 0 27 1.70 1.84 -8% 1.88
Ethyl Acetate ET-ACET Explicit 1 1 30,34 31 0.17 0.10 74% 0.29 0.38 0.16 0.21 0.25
Ethyl Acrylate ET-ACRYL 1-BUTENE 10 0 27 1.46 1.58 -8% 1.62
Propyl Acetate PR-ACET Explicit 10 0 27,32 0.28 0.29 -5% 0.50 0.62 0.26 0.37 0.43
Methyl Isobutyrate ME-IBUAT Explicit 8c 1b 29-31 31 0.18 0.06 196% 0.31 0.39 0.17 0.24 0.28
Isopropyl Acetate IPR-ACET Explicit 5 0 29 0.29 0.27 5% 0.43 0.53 0.28 0.37 0.45
n-Butyl Acetate BU-ACET Explicit 4 1 30,35 31 0.24 0.21 12% 0.42 0.48 0.22 0.31 0.31
Isobutyl Acetate IBU-ACET Explicit 10 0 27,32 0.33 0.35 -4% 0.59 0.71 0.31 0.44 0.49
t-Butyl Acetate TBU-ACET Explicit 2 1 24 28 0.04 0.06 0.08 0.03 0.05 0.06
2-Ethoxyethyl Acetate CSV-ACET Explicit 10 0 27 0.42 0.43 -2% 0.63 0.77 0.41 0.52 0.61
Isobutyl Isobutyrate IBU-IBTR Explicit 10 0 27,32 0.23 0.23 -3% 0.42 0.48 0.21 0.32 0.34
Isoamyl Isobutyrate IC5IBUAT Explicit 10 0 27,32 0.30 0.33 -9% 0.50 0.61 0.29 0.41 0.48
Dimethyl Succinate DBE-4 Explicit 3 1 24 26 0.05 0.11 0.14 0.05 0.09 0.10
Dimethyl Glutarate DBE-5 Explicit 4 1 24 26 0.10 0.20 0.20 0.09 0.15 0.13
Dimethyl Adipate DBE-6 Explicit 5 0 24 26 0.33 0.50 0.52 0.30 0.37 0.31
Propylene Carbonate PC Explicit 3 1 24 20 0.11 0.14 0.15 0.10 0.12 0.12
Propylene Glycol Methyl Ether PGME-ACT Explicit 8c 1b 29-31 31 0.30 0.43 0.55 0.31 0.43 0.55
Acetate
Subst. C7 Ester (C12) S-098116 Explicit 10 0 7,27 0.22 0.25 -9% 0.38 0.46 0.21 0.32 0.36
Subst. C9 Ester (C12) S-098117 Explicit 10 0 7,27 0.22 0.24 -9% 0.36 0.44 0.21 0.31 0.35
Ethylene Oxide ETOX Explicit 10 0 27 0.01 0.01 -13% 0.02 0.03 0.01 0.02 0.02
Propylene Oxide PROX Explicit 10 0 27 0.10 0.10 2% 0.19 0.24 0.09 0.12 0.15
Furan FURAN M-XYLENE 10 3f 27,36 9a 5.44 4.03 35% 4.28
Formaldehyde FORMALD Explicit 1b 1 1 5,10,12, 1.62 2.26 -28% 1.16 1.01 1.71 1.63 1.60
15,16,22
Acetaldehyde ACETALD Explicit 1 1 1 5,10,12, 1.54 1.75 -12% 1.67 2.10 1.57 1.56 1.71
15,16,22
C3 Aldehydes PROPALD Explicit 3 5 37 5,10 1.85 2.07 -11% 2.05 2.55 1.86 1.86 2.03
C4 Aldehydes C4-RCHO PROPALD 5 0 8 1.48 1.67 -11% 1.65
C5 Aldehydes C5-RCHO PROPALD 5 0 8 1.24 1.40 -11% 1.38
C6 Aldehydes C6-RCHO PROPALD 6 0 8 1.07 1.20 -11% 1.19
C7 Aldehydes C7-RCHO PROPALD 6 0 8 0.94 1.05 -11% 1.04
C8 Aldehydes C8-RCHO PROPALD 6 0 8 0.83 0.94 -11% 0.93
Glyoxal GLYOXAL Explicit 9 0 25,26,37 5 0.51 0.70 -27% 0.43 0.46 0.54 0.56 0.57
Acrolein ACROLEIN Explicit 3 3 40 9a 0.89 2.14 -58% 0.96 1.22 0.91 0.94 0.98
Methacrolein METHACRO Explicit 4 3 13 32 1.31 1.30 1.59 1.36 1.36 1.46
Page 8 of 11

SUMMARY OF STATUS OF VOC REACTIVITY ESTIMATES AS OF 3/6/98
Compound or Mixture DMSname Represent. Notes and References [c] Reactivity Relative to Base ROG (gram basis) [d]
MIR [e]
Other 1997 Scales [f]
[a] [b] Unc Exp Notes Refs 1997 1991 ∆% MOIR EBIR MIR-I MOIR-I EBIR-I
Methyl Glyoxal MEGLYOX Explicit 3 0 37 5 3.35 4.67 -28% 2.54 2.49 3.57 3.59 3.83
Crotonaldehyde CROTALD PROPALD 10 0 27 1.53 1.71 -11% 1.70
Acetone ACETONE Explicit 4 1 24,39 12,13 0.12 0.18 -33% 0.13 0.14 0.11 0.11 0.11
Methyl Ethyl Ketone MEK Explicit 2 1 37 31 0.35 0.37 -6% 0.49 0.60 0.33 0.37 0.40
C5 Ketones KET5 MEK 10 0 27,32 0.29 0.31 -6% 0.41
C6 Ketones KET6 MEK 10 0 27,32 0.25 0.27 -6% 0.36
Methyl Isobutyl Ketone MIBK Explicit 3 1 30,31,34 31 0.85 1.02 1.19 0.84 0.93 0.98
C7 Ketones KET7 MEK 10 0 27,32 0.22 0.24 -6% 0.31
C8 Ketones KET8 MEK 10 0 27,32 0.20 0.21 -6% 0.28
C9 Ketones KET9 MEK 10 0 27,32 0.18 0.19 -6% 0.25
C10 Ketones KET10 MEK 10 0 27,32 0.16 0.17 -7% 0.23
C5 Cyclic Ketones KET5C MEK 10 0 27,32 0.30 0.32 -6% 0.42
C6 Cyclic Ketones KET6C MEK 10 0 27,32 0.26 0.27 -6% 0.36
C7 Cyclic Ketones KET7C MEK 10 0 27,32 0.23 0.24 -6% 0.32
C8 Cyclic Ketones KET8C MEK 10 0 27,32 0.20 0.21 -6% 0.28
C9 Cyclic Ketones KET9C MEK 10 0 27,32 0.18 0.19 -6% 0.25
C10 Cyclic Ketones KET10C MEK 10 0 27,32 0.16 0.17 -7% 0.23
Diacetone Alcohol DIACTALC Explicit 6 0g 29 31 0.15 0.26 0.30 0.14 0.18 0.18
Methylvinyl ketone MVK Explicit 4 3 13 32 1.68 1.67 1.98 1.71 1.75 1.94
Biacetyl BIACETYL Explicit 3 5 37 4.31 3.40 3.50 4.59 4.75 5.26
Benzaldehyde BENZALD Explicit 4 3 37,41 5,35 -0.04 -0.18 -76% -1.00 -3.11 -0.08 -0.55 -2.09
Tolualdehyde TOLUALD BENZALD 5 0 8 -0.04 -0.15 -76% -0.88
Phenol PHENOL Explicit 5 0 42 5 0.34 0.36 -5% -0.32 -1.63 0.32 0.07 -0.90
Alkyl Phenols CRESOL Explicit 5 c 42 0.62 0.73 -15% -0.44 -2.49 0.61 0.18 -1.39
o-Cresol O-CRESOL CRESOL 5 5 43 5,10 0.62 -0.44
m-Cresol M-CRESOL CRESOL 5 0 42 0.62 -0.44
p-Cresol P-CRESOL CRESOL 5 0 42 0.62 -0.44
Ethyl Amine ET-AMINE Explicit 10 7 27 1.70 1.70 0% 2.17 2.77 1.69 1.89 2.33
Acrylonitrile ACRYLNIT Explicit 10 0 27 0.52 0.62 -17% 0.69 0.85 0.50 0.65 0.81
Trimethyl Amine TM-AMINE Explicit 10 7 27 1.92 2.43 -21% 1.66 1.73 2.01 2.04 2.27
N-Methyl-2-Pyrrolidone NMP Explicit 4e 1 24 20 0.57 0.91 1.02 0.54 0.65 0.70
Nitrobenzene NO2-BENZ Explicit 10 0 27 0.02 0.02 0.01 0.02 0.02 0.01
Methyl Nitrite ME-NITRT Explicit 3d 0 37 1.93 2.98 -35% 2.01 3.70 2.13 2.72 4.88
Methyl Chloride S-043801 Explicit 10 0 27 0.01 0.01 -4% 0.02 0.02 0.01 0.01 0.01
Dichloromethane S-043802 Explicit 10 0 27 0.01 0.02 -4% 0.03 0.04 0.01 0.02 0.02
Methyl Bromide S-243819 Explicit 10 0 27 0.00 0.00 -4% 0.01 0.01 0.00 0.00 0.01
Chloroform CHCL3 Explicit 10 0 27 0.01 0.01 0.02 0.01 0.01 0.01
Page 9 of 11

SUMMARY OF STATUS OF VOC REACTIVITY ESTIMATES AS OF 3/6/98
Compound or Mixture DMSname Represent. Notes and References [c] Reactivity Relative to Base ROG (gram basis) [d]
MIR [e]
Other 1997 Scales [f]
[a] [b] Unc Exp Notes Refs 1997 1991 ∆% MOIR EBIR MIR-I MOIR-I EBIR-I
Carbon Tetrachloride CCL4 Inert 0 0 0 0.00 0.00
Methylene Bromide S-043805 Explicit 10 0 27 0.01 0.01 -4% 0.01 0.02 0.01 0.01 0.01
Ethyl Chloride S-043812 Explicit 10 0 27 0.05 0.05 -3% 0.10 0.13 0.05 0.07 0.08
Trans-1,2-Dichloroethene S-099018 Explicit 10 0 27 0.15 0.15 -1% 0.26 0.34 0.13 0.18 0.23
1,1-Dichloroethane S-043813 Explicit 10 0 27 0.02 0.02 -4% 0.04 0.06 0.02 0.03 0.04
1,1,2-Trichloroethane S-043820 Explicit 10 0 27 0.02 0.02 -4% 0.04 0.05 0.02 0.03 0.03
1,1,1-Trichloroethane S-043814 Explicit 10 0 27 0.00 0.00 -4% 0.00 0.00 0.00 0.00 0.00
1,2-Dichloropropane S-099016 Explicit 10 0 27 0.07 0.07 -2% 0.13 0.17 0.07 0.09 0.11
1-Chlorobutane S-098104 Explicit 10 0 27 0.24 0.25 -2% 0.44 0.55 0.22 0.32 0.37
3-(Chloromethyl)-Heptane S-098105 Explicit 10 0 27 0.24 0.24 -1% 0.44 0.49 0.22 0.33 0.34
n-Propyl Bromide C3-BR Explicit 5 1 24,44 25 0.24 0.00 -0.35 0.21 0.08 -0.14
n-Butyl Bromide C4-BR Explicit 5e 1 24,44 25 0.35 0.16 -0.19 0.31 0.20 -0.05
Vinyl Chloride CL-ETHE Explicit 10 0 27 0.63 1.00 1.28 0.60 0.76 0.93
1,1-Dichloroethene 11CL2ETH Explicit 10 0 27 0.47 0.72 0.91 0.44 0.55 0.68
Ethylene Dichloride S-043815 Explicit 10 0 27 0.18 0.18 -2% 0.31 0.40 0.16 0.22 0.27
Trichloroethylene CL3-ETHE Explicit 4c 1 24,45 21 0.24 0.30 0.34 0.22 0.25 0.29
Perchloroethylene CL4-ETHE Explicit 10 0 27 0.01 0.02 0.02 0.01 0.01 0.01
Ethylene Dibromide S-099014 Explicit 10 0 27 0.09 0.09 -2% 0.17 0.21 0.09 0.12 0.14
2-(Cl-methyl)-3-Cl-Propene CL2IBUTE Explicit 9c 2 27 12 0.56 0.56 0.64 0.58 0.63 0.75
Monochlorobenzene CL-BEN Explicit 10 0 27 0.08 0.07 22% 0.07 0.03 0.08 0.08 0.04
p-Dichlorobenzene CL2-BEN Explicit 10 0 27 0.03 0.02 74% 0.03 0.01 0.03 0.03 0.01
p-Trifluoromethyl-Cl-Benzene PCBTF Explicit 7 0 46 37 0.04 0.03 0.01 0.04 0.03 0.02
Benzotrifluoride CF3-BEN Explicit 7 0 46 37 0.09 0.07 0.02 0.08 0.07 0.04
Chloropicrin CCL3NO2 Explicit 3 1 24 29 0.26 0.44 1.12 0.28 0.37 0.84
[a] Species name as used in model.
[b] Representation in model: "Explicit" = represented explicitly; DMSname = represented by indicated species; (blank) = not represented.
[c] See Tables 2-4 for comments or references, where: Unc = uncertainty notes given in Table 2; Exp = notes concerning experimental data for mechanism
evaluation given in Table 3; Notes = documentation notes and comments given in Table 5; Refs = references given in Table 5.
[d] MIR = maximum incremental reactivity, in grams O3 per gram VOC emitted, relative to the maximum incremental reactivity of the average of all reactive organic
gas (ROG) emissions, with ozone quantified by peak 1-day ozone yield. "1991" is from the MIR scale calculated in 1991 [6] and incorporated in the CARB Clean
Fuel/Low Emissions Vehicle regulations [4]. "1997" is the PRELIMINARY updated MIR scale calculated using the base mechanism documented by Carter et al
(1997) [22]. Note that the "1997" scale was calculated using the single "averaged conditions" MIR scenario, while the "1991" scale is the average of reactivities
for the 39 MIR scenarios representing different urban areas. The effect of this difference in methodology is expected to be small compared to the effects of the
mechanism updates.
[e] The absolute MIRs of the base ROG mixture are 4.06 gm O3 per gm VOC in the 1997 scale and 3.16 gm O3 per gm VOC in the 1991 scale. These can be used
to obtain absolute MIRs for the tabulated VOCs.
Page 10 of 11

SUMMARY OF STATUS OF VOC REACTIVITY ESTIMATES AS OF 3/6/98
Compound or Mixture DMSname Represent. Notes and References [c] Reactivity Relative to Base ROG (gram basis) [d]
MIR [e]
Other 1997 Scales [f]
[a] [b] Unc Exp Notes Refs 1997 1991 ∆% MOIR EBIR MIR-I MOIR-I EBIR-I
[f]
MOIR and EBIR = maximum ozone incremental reactivity and equal benefit incremental reactivity, respectively, calculated on the same basis as the MIR scale
discussed in Footnote [d]. MIR-I, MOIR-I, and EBIR-I are the incremental reactivities calculated for the MIR, MOIR, or EBIR scales with ozone quantified by
integrated ozone over 0.12 ppm, also relative to the average of all ROG emissions, and calculated on an ozone impact per gram VOC emitted basis. These were
calculated using the "averaged conditions" MIR, MOIR, or EBIR scenario.
Page 11 of 11

SUMMARY OF STATUS OF VOC REACTIVITY ESTIMATES AS OF 3/6/98
Table A-2. Uncertainty notes
Unc.
Note
0 Not applicable: no estimated mechanism, or believed to be unreactive.
1 Considered to be least uncertain
2 Some uncertainties but not likely to change significantly
3 Uncertain but not likely to change significantly
4 Uncertain adjusted mechanism may change somewhat if refined, but change
not expected to be large. If the compound is predicted to inhibit O3, changes
are not expected to affect predicted inhibition, but may affect magnitude of
inhibition.
5 Uncertain and may change if compound is studied (or studied further) or
estimation methods are updated.
6 Uncertain and is expected to change if compound is studied or estimation
methods are updated.
7 Non-negligible chance of estimate being significantly incorrect
8 Current mechanism is expected to (or has been found to) overpredict reactivity.
9 Current mechanism is expected to (or has been found to) underpredict
reactivity.
10 Current mechanism is probably incorrect, but biases in atmospheric reactivity
predictions are uncertain.
a
b
c
d
e
Some uncertainty due to differences in reactivities of compounds represented
by this class. Look at differences among compounds in this class for magnitude
of this uncertainty.
Model does not successfully simulate results of all chamber experiments. This
may be due to experimental difficulties, though mechanism problems cannot be
completely ruled out.
Model does not successfully simulate results of some chamber experiments.
The reactivity of this compound may be unusually sensitive to changes in the
base mechanism.
Model does not fit data well under low NOx conditions, but appears to perform
reasonably well under conditions representing MIR.
Page 1 of 8

SUMMARY OF STATUS OF VOC REACTIVITY ESTIMATES AS OF 3/6/98
Table A-3. Availability of experimental data for mechanism evaluation.
Exp.
Note
0 No data available to test ozone predictions for this compound.
1 Tested under MIR and other conditions; well tested.
2 Tested under MIR conditions
3 Tested under some conditions, but not MIR reactivity
4 Tested under MIR conditions, but data limited, or of low quality or precision.
5 Tested under some conditions, but data limited, of low precision, or not well
characterized
6 Some qualitative experimental data not consistent with mechanism
7 Data may be available, but mechanism not tested.
a
b
c
d
e
f
g
h
Data available for complex mixtures containing significant amounts of
compounds of this class.
Data not completely processed, but some preliminary modeling carried out.
Data not used in development of current mechanism.
Experimental data available for some members of this class.
Tested under MIR and other conditions, but not as comprehensively as the other
aromatics with experimental data.
A variety of single aromatic - NOx experiments were carried out to evaluate the
mechanism using two different light sources.
Data available only for blacklight chamber. Effect of changing light source is
uncertain and needs to be evaluated.
Attempts to conduct environmental chamber experiments with this compound
have been unsuccessful because of experimental difficulties.
The effect of changing the base ROG surrogate composition has not been
examined. Effect of base ROG composition is uncertain and needs to be
evaluated.
Page 2 of 8

SUMMARY OF STATUS OF VOC REACTIVITY ESTIMATES AS OF 3/6/98
Table A-4. Documentation notes and comments.
Note.
Documentation or Comment [a]
0 No mechanism assigned. Expected to be of low or negligible reactivity.
1 Mechanism believed to be fairly well established. See Atkinson reviews [1-3].
2 Mechanism estimated using general estimation method for alkanes discussed
by Carter and Atkinson [8] as updated by Atkinson [3].
Consistent with data for normal alkanes only if nitrate formation from hydroxyalkoxy
radicals formed following isomerization is assumed to be much less
important than expected.
3 Estimated mechanism may slightly overpredict reactivities for C14+ n-alkanes.
No data to verify validity of extrapolation above C16 n-alkanes.
4 General alkane estimation method has been found to perform poorly in
simulating reactivities of branched alkanes. Future research may result in
improved estimation methods for branched alkanes.
5 The applicability of the general alkane estimation methods to this compound is
uncertain.
6 The general alkane mechanism appears to perform reasonably well in
simulating reactivity of cyclohexane. However, data with mineral spirits
mixtures and hexyl cyclohexane indicates that it overpredicts reactivities of
higher cycloalkanes.
7 Uncertain whether the compound used to represent this class is most
appropriate for all complex mixtures containing this class.
8 Mechanism estimated by extrapolating from lower molecular weight analogue.
9 Some nitrate formation is assumed to occur in OH reaction for model to
simulate chamber data for 1-hexene [9b]. Nitrate yields for other compounds
estimated based on yields for alkanes.
10 Organic nitrate yield in OH reaction had to be adjusted upwards to obtain
acceptable fit of model to chamber data. Adjusted yield somewhat higher than
expected.
11 Estimated mechanism based on that for isobutene or 2-butene.
12 Highly approximate mechanism based on those for monoalkenes. Probably not
well suited for these compounds.
13 Based on detailed mechanism of Carter and Atkinson [32]. Isoprene
mechanism used is condensed "one product" version given by Carter [33].
14 Estimated mechanism based on that for acyclic internal alkenes, with
appropriate modifications of estimated products formed.
15 Nitrate yields for these terpenes adjusted to fit results of chamber runs.
16 Details of the mechanism and reaction products are unknown. A parameterized
mechanism was adjusted to fit the chamber data. Current version of the
benzene and alkylbenzene mechanism is given by Carter et al (1997) [22].
17 Assumed to have same mechanism as ethyl benzene, but with kOH for the
specific compound.
18 Assumed to have same mechanism and rate constant as m-xylene (for
dialkylbenzenes) or 1,3,5-trimethylbenzene (for polyalkylbenzenes). This may
overestimate reactivities of some isomers.
19 Details of the mechanism and reaction products are unknown. A parameterized
mechanism was adjusted to fit the limited chamber data base as discussed by
Carter et al (1984) [9a]. It has not been updated to be consistent with the
current base mechanism.
20 Assumed to have the same mechanism and rate constant as tetralin.
Page 3 of 8

SUMMARY OF STATUS OF VOC REACTIVITY ESTIMATES AS OF 3/6/98
Table A-4. Documentation notes and comments.
Note.
Documentation or Comment [a]
21 Interpolated mechanism based on the optimized mechanisms for naphthalene
and 2,3-dimethyl naphthalene.
22 Assumed to have same mechanism and rate constant as 2,3-dimethyl
naphthalene.
23 Estimated mechanism based on assuming most of reaction with OH is at double
bond, reacting in a manner analogous to alkenes.
24 An experimental and modeling study of the reactivity of this compound has
recently been completed. See reference(s) cited.
25 The base mechanism needs to be updated before the reactivity of this
compound will be predicted correctly.
26 The current mechanism for glyoxal, the main product of acetylene, results in
significant underpredictions of the reactivity of acetylene. The mechanism has
not yet been updated to take this into account.
27 A highly approximate "placeholder" mechanism is used so this compound can
be represented in model simulations where this is present in complex mixtures.
28 Mechanism estimated using available estimation methods as of 1991-1993.
Estimates not reviewed or updated recently.
29 Mechanism estimated using automated procedure based on the estimation
methods developed by Atkinson (1997) [3] for alkanes and alkenes. Estimates
generalized to apply to oxygenated compounds.
Note that this method tends to overestimate the relative importances of alkoxy
radical isomerizations and underestimate decompositions. Therefore, estimated
mechanisms may be incorrect in many cases.
Note also that alkyl nitrate yields estimated by this method are uncertainty. This
is important in reactivity predictions for higher molecular weight compounds.
30 This compound is being studied as part of the ARB-funded project on the
reactivity of consumer product VOCs.
31 The mechanism for this compound is being updated for an ongoing project. The
reactivities and uncertainty assignments given are for the current mechanism,
which has not been updated to incorporate the new data.
32 It is expected that the estimated mechanism will be updated when work on
related compounds is completed.
33 See Carter et al (1993) [12] for a discussion for the mechanism and data for this
compound.
34 An updated version of this mechanism which is consistent with available
chamber and laboratory data has been incorporated in the model.
35 An updated version of this mechanism which takes into account some of the
new chamber data and/or mechanism estimates has been incorporated, but the
mechanism is still being refined as part of an ongoing project.
36 An adjusted parameterized mechanism has been developed based on chamber
data from a previous study (Carter et al, 1984) [9a], but the current base
mechanism does not incorporate the product species necessary to represent this
appropriately.
37 Most of mechanism is believed to be fairly well established, but there are
uncertainties in the photolysis rates or mechanism which may affect reactivity
predictions.
Page 4 of 8

SUMMARY OF STATUS OF VOC REACTIVITY ESTIMATES AS OF 3/6/98
Table A-4. Documentation notes and comments.
Note.
Documentation or Comment [a]
38 Several alternative mechanisms were developed as part of a paper study on the
potential ranges of reactivity of this compound (Atkinson and Carter [36]), but no
preferred version was implemented in the model.
39 The mechanism which best fits the chamber data uses an adjustment to the
quantum yields which was not incorporated in the standard mechanism.
Therefore, this mechanism may slightly overestimate the reactivity of acetone.
See Carter et al (1993) [13].
40 An estimated mechanism was developed and adjusted by Carter et al (1984)
[9b], and was subsequently updated. However, some aspects may be out of
date.
41 Photolysis rates were adjusted based on simulations of early chamber
experiments during development of 1990 mechanism, and have not been reevaluated.
Re-adjustment not expected to affect reactivity predictions.
42 Mechanism based on the empirical mechanism derived for o-cresol. Cresol
isomers assumed to have the same mechanism as o-cresol. Phenol
mechanism is derived by analogy.
43 Empirical, highly parameterized and over-simplified mechanism was adjusted to
fit results of a limited number of cresol - NOx chamber runs [5,10].
44 Results of the chamber experiments could not be simulated unless some
unknown process, represented by reaction of O3 with HBr forming radical
initiating species, is assumed. The role of surface reactions in affecting the
chamber results is uncertain.
45 Some process in the TCE photooxidation is not adequately represented in the
mechanism. Mechanism might somewhat underestimate MIR reactivities but is
expected to significantly overestimate MOIR and low NOx reactivities.
46 Mechanism estimated based on the mechanism for toluene, with 20% Cl
formation from PCBTF, as discussed in a consulting report [37].
47 A parameterized mechanism was adjusted to fit mini-surrogate reactivity data
with varying NOx. See Carter et al (1992) [11]. The siloxane reactions have
not been incorporated into the current model.
[a] Numbers in brackets refer to reference number on Table 5.
Page 5 of 8

SUMMARY OF STATUS OF VOC REACTIVITY ESTIMATES AS OF 3/6/98
Table A-5. References
Ref.
Citation
1 Atkinson, R. (1990): "Gas-Phase Tropospheric Chemistry of Organic
Compounds: A Review," Atmos. Environ., 24A, 1-24.
2 Atkinson, R. (1994): "Gas-Phase Tropospheric Chemistry of Organic
Compounds," J. Phys. Chem. Ref. Data, Monograph No. 2.
3 Atkinson, R. (1997): "Gas Phase Tropospheric Chemistry of Volatile Organic
Compounds: 1. Alkanes and Alkenes," J. Phys. Chem. Ref. Data, 26, 215-290.
4 CARB (1993): "Proposed Regulations for Low-Emission Vehicles and Clean
Fuels -- Staff Report and Technical Support Document," California Air
Resources Board, Sacramento, CA, August 13, 1990.
See also Appendix VIII of "California Exhaust Emission Standards and Test
Procedures for 1988 and Subsequent Model Passenger Cars, Light Duty Trucks
and Medium Duty Vehicles," as last amended September 22, 1993.
Incorporated by reference in Section 1960.
5 Carter, W. P. L. (1990): "A Detailed Mechanism for the Gas-Phase Atmospheric
Reactions of Organic Compounds," Atmos. Environ., 24A, 481-518.
6 Carter, W. P. L. (1994): "Development of Ozone Reactivity Scales for Volatile
Organic Compounds," J. Air & Waste Manage. Assoc., 44, 881-899.
7 Carter, W. P. L. (1995): "Computer Modeling of Environmental Chamber
Measurements of Maximum Incremental Reactivities of Volatile Organic
Compounds," Atmos. Environ., 29, 2513-2517.
8 Carter, W. P. L., and R. Atkinson (1985): "Atmospheric Chemistry of Alkanes",
J. Atmos. Chem., 3, 377-405, 1985.
9a Carter, W. P. L., Winer, A. M., Atkinson, R., Dodd, M. C. and Aschmann, S. A.
(1984b): Atmospheric Photochemical Modeling of Turbine Engine Fuels. Phase
I. Experimental studies. Final Report to the USAF, ESL-TR-84-32, September.
9b Carter, W. P. L., A. M. Winer, R. Atkinson, S. E. Heffron, M. P. Poe, and M. A.
Goodman (1987): "Atmospheric Photochemical Modeling of Turbine Engine
Fuels. Phase II. Computer Model Development," Report on USAF Contract no.
F08635-83-0278.
10 Carter, W. P. L. and F. W. Lurmann (1991): "Evaluation of a Detailed Gas-
Phase Atmospheric Reaction Mechanism using Environmental Chamber Data,"
Atm. Environ. 25A, 2771-2806.
11 Carter, W. P. L., J. A. Pierce, I. L. Malkina, and D. Luo (1992): "Investigation of
the Ozone Formation Potential of Selected Volatile Silicone Compounds," Final
Report to Dow Corning Corporation, Midland, MI, November.
12 Carter, W. P. L., J. A. Pierce, I. L. Malkina, D. Luo and W. D. Long (1993):
"Environmental Chamber Studies of Maximum Incremental Reactivities of
Volatile Organic Compounds," Report to Coordinating Research Council, Project
No. ME-9, CARB, etc. [a]
13 Carter, W. P. L, D. Luo, I. L. Malkina, and J. A. Pierce (1993): "An Experimental
and Modeling Study of the Photochemical Ozone Reactivity of Acetone," Final
Report to Chemical Manufacturers Association Contract No. KET-ACE-CRC-2.0.
December 10. [a]
14 Carter, W. P. L., J. A. Pierce, D. Luo, and I. L. Malkina (1995): "Environmental
Chamber Studies of Maximum Incremental Reactivities of Volatile Organic
Compounds," Atmos. Environ. 29, 2499-2511.
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SUMMARY OF STATUS OF VOC REACTIVITY ESTIMATES AS OF 3/6/98
Table A-5. References
Ref.
Citation
15 Carter, W. P. L., D. Luo, I. L. Malkina, and J. A. Pierce (1995): "Environmental
Chamber Studies of Atmospheric Reactivities of Volatile Organic Compounds.
Effects of Varying ROG Surrogate and NOx," Report to Coordinating Research
Council, CARB, etc [a]
16 Carter, W. P. L., D. Luo, I. L. Malkina, and J. A. Pierce (1995): "Environmental
Chamber Studies of Atmospheric Reactivities of Volatile Organic Compounds.
Effects of Varying Chamber and Light Source," Final report to NREL, CRC,
CARB, etc. [a]
17 Carter, W. P. L., D. Luo, I. L. Malkina, and D. Fitz (1995): "The University of
California, Riverside Environmental Chamber Data Base for Evaluating Oxidant
Mechanism. Indoor Chamber Experiments through 1993," Report submitted to
the U. S. EPA [a]
18 Carter, W. P. L., D. Luo, and I. L. Malkina (1996): "Investigation of Atmospheric
Ozone Formation Potentials of C12 - C16 n-Alkanes," Report to the Aluminum
Association, October 28. [a]
19 Carter, W. P. L., D. Luo, and I. L. Malkina (1996): "Investigation of the
Atmospheric Ozone Impact of Methyl Acetate," Report to Eastman Chemical
Company, July. [a]
20 Carter, W. P. L., D. Luo, and I. L. Malkina (1996): "Investigation of the
Atmospheric Ozone Formation Potential of t-Butyl Alcohol, N-Methyl
Pyrrolidinone and Propylene Carbonate," Report to ARCO Chemical
Corporation, July 8. [a]
21 Carter, W. P. L., D. Luo, and I. L. Malkina (1996): "Investigation of the
Atmospheric Ozone Formation Potential of Trichloroethylene," Report to the
Halogenated Solvents Industry Alliance, August. [a]
22 Carter, W. P. L., D. Luo, and I. L. Malkina (1997): "Environmental Chamber
Studies for Development of an Updated Photochemical Mechanism for VOC
Reactivity Assessment," Draft final report to CARB, CRC, NREL [a]
23 Carter, W. P. L., D. Luo, and I. L. Malkina (1997): "Investigation of the
Atmospheric Ozone Formation Potential of Propylene Glycol," Report to Philip
Morris, USA, May 2. [a]
24 Carter, W. P. L., D. Luo, and I. L. Malkina (1997): "Investigation of the
Atmospheric Ozone Formation Potential of Acetylene," Report to Carbind
Graphite Corp., April 1. [a]
25 Carter, W. P. L., D. Luo, and I. L. Malkina (1997): "Investigation of the
Atmospheric Ozone Formation Potential of Selected Alkyl Bromides," Report to
Albemarle Corporation, November 10. [a]
26 Carter, W. P. L., D. Luo, and I. L. Malkina (1997): "Investigation of the
Atmospheric Ozone Formation Potentials of Selected Dibasic Esters," Report to
the Dibasic Esters Group, SOCMA, May 15. [a]
27 Carter, W. P. L., D. Luo, and I. L. Malkina (1997): "Investigation of the
Atmospheric Ozone Formation Potentials of Selected Mineral Spirits Mixtures,"
Report to Safety-Kleen Corporation, July 25. [a]
28 Carter, W. P. L., D. Luo, and I. L. Malkina (1997): "Investigation of the
Atmospheric Ozone Formation Potential of t-Butyl Acetate," Report to ARCO
Chemical Corporation, July 2. [a]
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SUMMARY OF STATUS OF VOC REACTIVITY ESTIMATES AS OF 3/6/98
Table A-5. References
Ref.
Citation
29 Carter, W. P. L., D. Luo and I. L. Malkina (1997): "Investigation of that
Atmospheric Reactions of Chloropicrin," Atmos. Environ. 31, 1425-1439.; Report
to the Chloropicrin Manufacturers Task Group, May 19. [a]
30 Kwok, E. S. C., and R. Atkinson (1995): "Estimation of Hydroxyl Radical
Reaction Rate Constants for Gas-Phase Organic Compounds Using a Structure-
Reactivity Relationship: An Update," Atmos. Environ 29, 1685-1695.
31 Carter, W. P. L., unpublished results.
32 Carter, W. P. L. and R. Atkinson (1996): "Development and Evaluation of a
Detailed Mechanism for the Atmospheric Reactions of Isoprene and NOx," Int. J.
Chem. Kinet., 28, 497-530.
33 Carter, W. P. L. (1996): "Condensed Atmospheric Photooxidation Mechanisms
for Isoprene," Atmos. Environ., 30, 4275-4290.
34 Carter, W. P. L. (1987): "An Experimental and Modeling Study of the
Photochemical Reactivity of Heatset Printing Oils," Report #2 on U. S. EPA
Cooperative Agreement No. CR810214-01.
35 Carter, W. P. L., R. Atkinson, A. M. Winer, and J. N. Pitts, Jr. (1982):
"Experimental Investigation of Chamber-Dependent Radical Sources," Int. J.
Chem. Kinet., 14, 1071.
36 Atkinson, R., and W. P. L. Carter (1995): "Measurement of OH Radical Reaction
Rate Constants for Purasolv ELS and Purasolv ML and Calculation of Ozone
Formation Potentials," Final Report to Purac America, Inc., June.
37 Carter, W. P. L. Estimation of Atmospheric Reactivity Ranges for
Parachlorobenzotrifluoride and Benzotriflouride," Draft report to Occidental
Chemical Corporation, March, 1998.
[a] This report can be downloaded from the internet at
http://cert.ucr.edu/~carter/bycarter.htm.
Page 8 of 8