Appendices of Final Screening Assessment Petroleum Sector Stream Approach Heavy Fuel Oils [Industry-Restricted] Chemical Abstracts Service Registry Numbers 64741-75-9 68783-08-4 70592-76-6 70592-77-7 70592-78-8 Environment Canada Health Canada July 2013

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Appendices

Appendix 5: Modelling results for environmental properties of industry-restricted HFOs

Table A5.1. Results of the Level III fugacity modelling (EQC 2003)

n -Alkanes
Compartment of release (100%) Percentage of substance partitioning into
each compartment
C9 Air Water Soil Sediment
Air 99.5 0.03 0.5 0.02
Water 1.5 48 0 50.5
Soil 0.1 0 99.9 0
n -Alkanes
Compartment of release (100%) Percentage of substance partitioning into
each compartment
C15 Air Water Soil Sediment
Air 98.4 0.01 1.5 0.1
Water 0.01 8.7 0 91.3
Soil 0.1 0.002 99.9 0.02
n -Alkanes
Compartment of release (100%) Percentage of substance partitioning into
each compartment
C20 Air Water Soil Sediment
Air 13.7 0.9 66.5 18.8
Water 0 4.6 0 95.4
Soil 0 0.002 99.9 0.04
n -Alkanes
Compartment of release (100%) Percentage of substance partitioning into
each compartment
C30 Air Water Soil Sediment
Air 0.6 0.4 79.9 19.2
Water 0 1.9 0 98.1
Soil 0 0.002 99.9 0.1
n -Alkanes
Compartment of release (100%) Percentage of substance partitioning into
each compartment
C50 Air Water Soil Sediment
Air 0.03 0.02 97.3 2.7
Water 0 0.9 0 99.1
Soil 0 0.003 99.7 0.3
Isoalkanes
Compartment of release (100%) Percentage of substance partitioning into
each compartment
C9 Air Water Soil Sediment
Air 99.8 0 0.2 0
Water 3.3 85.7 7.0E-3 11
Soil 6.2 9.0E-3 93.7 1.0E-3
Isoalkanes
Compartment of release (100%) Percentage of substance partitioning into
each compartment
C15 Air Water Soil Sediment
Air 99 0.001 1.0 0.01
Water 0.01 9.6 0.0 90.4
Soil 0.04 0.001 99.9 0.01
Isoalkanes
Compartment of release (100%) Percentage of substance partitioning into
each compartment
C20 Air Water Soil Sediment
Air 94 0.05 5.1 0.9
Water 0 5 0 95
Soil 0 0.002 99.9 0.03
Isoalkanes
Compartment of release (100%) Percentage of substance partitioning into
each compartment
C30 Air Water Soil Sediment
Air 69.7 0.2 18.1 12.1
Water 0 1.3 0 98.7
Soil 0.1 0.003 99.7 0.2
Isoalkanes
Compartment of release (100%) Percentage of substance partitioning into
each compartment
C50 Air Water Soil Sediment
Air 0.03 0.03 96.7 3.3
Water 0 0.9 0 99.1
Soil 0 0.003 99.7 0.3
One-ring cycloalkanes
Compartment of release (100%) Percentage of substance partitioning into each compartment
C9 Air Water Soil Sediment
Air 99.8 0 0.2 0
Water 2.8 93.4 3.8 0
Soil 3.2 9.0E-3 96.8 0
One-ring cycloalkanes
Compartment of release (100%) Percentage of substance partitioning into
each compartment
C15 Air Water Soil Sediment
Air 97.3 0.03 2.3 0.4
Water 0.006 7 0 93
Soil 0.002 0.002 99.9 0.02
One-ring cycloalkanes
Compartment of release (100%) Percentage of substance partitioning into
each compartment
C20 Air Water Soil Sediment
Air 46.5 1.4 15.7 36.4
Water 0 3.7 0 96.3
Soil 0 0.002 99.9 0.05
One-ring cycloalkanes
Compartment of release (100%) Percentage of substance partitioning into
each compartment
C30 Air Water Soil Sediment
Air 4.5 0.3 77.1 18.1
Water 0 1.9 0 98.2
Soil 0 0.002 99.9 0.1
One-ring cycloalkanes
Compartment of release (100%) Percentage of substance partitioning into
each compartment
C50 Air Water Soil Sediment
Air 0.03 0.03 96.7 3.3
Water 0 0.9 0 99.1
Soil 0 0.003 99.7 0.3
Two-ring cycloalkanes
Compartment of release (100%) Percentage of substance partitioning into
each compartment
C9 Air Water Soil Sediment
Air 99.0 0.2 0.8 0.01
Water 2.7 88.8 0.02 8.5
Soil 2 0.1 97.9 0.01
Two-ring cycloalkanes
Compartment of release (100%) Percentage of substance partitioning into
each compartment
C15 Air Water Soil Sediment
Air 96.8 0.008 3 0.1
Water 0.05 6 0 94
Soil 0.06 0.002 99.9 0.04
Two-ring cycloalkanes
Compartment of release (100%) Percentage of substance partitioning into
each compartment
C20 Air Water Soil Sediment
Air 70.5 0.1 20.7 8.7
Water 0 1.3 0 98.7
Soil 0 0.002 99.8 0.2
Two-ring cycloalkanes
Compartment of release (100%) Percentage of substance partitioning into
each compartment
C30 Air Water Soil Sediment
Air 2.7 0.05 92.1 5.2
Water 0 0.9 0 99.1
Soil 0 0.003 99.7 0.3
Two-ring cycloalkanes
Compartment of release (100%) Percentage of substance partitioning into
each compartment
C50 Air Water Soil Sediment
Air 0.2 0.15 87.4 12.3
Water 0 1.2 0 98.8
Soil 0 0.003 99.8 0.2
Polycycloalkanes
Compartment of release (100%) Percentage of substance partitioning into
each compartment
C14 Air Water Soil Sediment
Air 93.1 0.2 6.0 0.8
Water 0.2 18.1 0.02 81.6
Soil 0.03 0 99.9 0.03
Polycycloalkanes
Compartment of release (100%) Percentage of substance partitioning into
each compartment
C18 Air Water Soil Sediment
Air 7.7 0.6 60.4 31.2
Water 0 2.0 0.05 97.9
Soil 0 0.004 99.8 0.2
Polycycloalkanes
Compartment of release (100%) Percentage of substance partitioning into
each compartment
C22 Air Water Soil Sediment
Air 3.0 0.05 91.8 5.2
Water 0 1.0 0.02 99.0
Soil 0 0 99.7 0.3
One-ring aromatics
Compartment of release (100%) Percentage of substance partitioning into
each compartment
C9 Air Water Soil Sediment
Air 99.4 0.3 0.3 0
Water 4.4 94.6 0.01 0.9
Soil 1.0 0.1 98.9 0
One-ring aromatics
Compartment of release (100%) Percentage of substance partitioning into
each compartment
C15 Air Water Soil Sediment
Air 98.4 0.05 1.1 0.4
Water 0.03 11.5 0 88.5
Soil 0.001 0.001 99.9 0.01
One-ring aromatics
Compartment of release (100%) Percentage of substance partitioning into
each compartment
C20 Air Water Soil Sediment
Air 63.2 0.5 28.3 8
Water 0 5.6 0 94.4
Soil 0 0.002 99.9 0.03
One-ring aromatics
Compartment of release (100%) Percentage of substance partitioning into
each compartment
C30 Air Water Soil Sediment
Air 4.7 0.2 79.5 15.5
Water 0 1.5 0 98.5
Soil 0 0.002 99.8 0.2
One-ring aromatics
Compartment of release (100%) Percentage of substance partitioning into
each compartment
C50 Air Water Soil Sediment
Air 0.1 0.08 91.9 7.9
Water 0 1 0 99
Soil 0 0.003 99.7 0.27
Cycloalkane monoaromatics
Compartment of release (100%) Percentage of substance partitioning into
each compartment
C10 Air Water Soil Sediment
Air 99.8 0.2 0.05 0.0002
Water 2.0 97.8 0.001 0.1
Soil 0.2 0.02 99.8 0.00002
Cycloalkane monoaromatics
Compartment of release (100%) Percentage of substance partitioning into
each compartment
C15 Air Water Soil Sediment
Air 81.4 1.7 1.5 15.4
Water 0.2 9.7 0.004 90.0
Soil 0.002 0.004 100 0.04
Cycloalkane monoaromatics
Compartment of release (100%) Percentage of substance partitioning into
each compartment
C20 Air Water Soil Sediment
Air 24.7 0.9 24.3 50
Water 0.005 1.78 0.005 98.2
Soil 0.0 0.002 99.9 0.1
Two-ring aromatics
Compartment of release (100%) Percentage of substance partitioning into
each compartment
C15 Air Water Soil Sediment
Air 65.3 6 9.6 19
Water 0.4 23.9 0.06 75.6
Soil 0.001 0.009 99.9 0.03
Two-ring aromatics
Compartment of release (100%) Percentage of substance partitioning into
each compartment
C20 Air Water Soil Sediment
Air 47 1.4 33 18.6
Water 0 7 0 93
Soil 0 0.002 99.9 0.02
Two-ring aromatics
Compartment of release (100%) Percentage of substance partitioning into
each compartment
C30 Air Water Soil Sediment
Air 3.6 0.4 77.6 18.5
Water 0 1.9 0 98.1
Soil 0 0.002 99.9 0.1
Two-ring aromatics
Compartment of release (100%) Percentage of substance partitioning into
each compartment
C50 Air Water Soil Sediment
Air 0.2 0.2 86.7 12.9
Water 0 1.2 0 98.8
Soil 0 0.003 99.8 0.2
Cycloalkane diaromatics
Compartment of release (100%) Percentage of substance partitioning into each compartment
C12 Air Water Soil Sediment
Air 91.6 6.7 1.4 0.4
Water 0.4 94.1 0.006 5.5
Soil 0.002 0.04 100 0.002
Cycloalkane diaromatics
Compartment of release (100%) Percentage of substance partitioning into each compartment
C15 Air Water Soil Sediment
Air 92.6 4.2 1.7 1.5
Water 1.5 72.6 0.028 25.9
Soil 0.001 0.005 100 0.002
Cycloalkane diaromatics
Compartment of release (100%) Percentage of substance partitioning into
each compartment
C20 Air Water Soil Sediment
Air 94.1 0.6 4.6 0.7
Water 0.07 44.8 0.003 55.1
Soil less than 0.001 less than 0.001 100 less than 0.001
Three-ring aromatics
Compartment of release (100%) Percentage of substance partitioning into
each compartment
C15 Air Water Soil Sediment
Air 68.5 9.73 11.6 10.2
Water 0.1 48.7 0.02 51.2
Soil 0 0.01 99.98 0.01
Three-ring aromatics
Compartment of release (100%) Percentage of substance partitioning into
each compartment
C20 Air Water Soil Sediment
Air 41.7 2.6 9.6 46.0
Water 0.001 5.4 0 94.6
Soil 0 0.002 99.99 0.03
Three-ring aromatics
Compartment of release (100%) Percentage of substance partitioning into
each compartment
C30 Air Water Soil Sediment
Air 1.2 0.3 81.3 17.2
Water 0 1.6 0 98.4
Soil 0 0.002 99.9 0.1
Three-ring aromatics
Compartment of release (100%) Percentage of substance partitioning into
each compartment
C50 Air Water Soil Sediment
Air 0.009 0.01 98.8 1.2
Water 0 0.9 0 99.1
Soil 0 0.003 99.7 0.3
Four-ring PAHs
Compartment of release (100%) Percentage of substance partitioning into
each compartment
C16 Air Water Soil Sediment
Air 13.1 4.7 58.1 24.1
Water 0 16.2 0.04 83.7
Soil 0 0 99.9 0.1
Four-ring PAHs
Compartment of release (100%) Percentage of substance partitioning into
each compartment
C20 Air Water Soil Sediment
Air 0.3 0.4 86.6 12.6
Water 0.0 3.0 0.0 97.0
Soil 0 0 99.8 0.2
Five-ring PAHs
Compartment of release (100%) Percentage of substance partitioning into
each compartment
C20 Air Water Soil Sediment
Air 0.65 0.36 85.1 13.9
Water 0 2.6 0.002 97.4
Soil 0 0.005 99.8 0.2
Five-ring PAHs
Compartment of release (100%) Percentage of substance partitioning into
each compartment
C30 Air Water Soil Sediment
Air 0.06 0.05 95 4.9
Water 0 0.9 0 99.1
Soil 0 0.003 99.7 0.3
Six-ring PAHs
Compartment of release (100%) Percentage of substance partitioning into
each compartment
C22 Air Water Soil Sediment
Air 0.3 0.3 83.7 15.6
Water 0 2.1 0 97.9
Soil 0 0 99.9 0.1

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Table A5.2. Modelled data for primary (BioHCWin 2008; BIOWIN4 2009) and ultimate (BIOWIN3, 5 and 6 2009; CATABOL; TOPKAT) degradation of HFO components

Alkanes
Alkanes Primary Degradation
BioHCWin
(2008) [a]
(days)
Primary Degradation
BIOWIN 4
(2009)
Expert Survey[b]
C9
n-nonane
7 4.20
C15
pentadecane
19 4.08
C20
eicosane
40 3.98
C30
triacontane
143 3.78
C50 4581 3.37
Isoalkanes
Isoalkanes Primary Degradation
BioHCWin
(2008) [a]
(days)
Primary Degradation
BIOWIN 4
(2009)
Expert Survey[b]
C9
2,3-dimethylheptane
8 3.93
C15
2-methyltetradecane
17 3.81
C20
3-methylnonadecane
36 3.71
C30
hexamethyltetracosane
333 3.24
C50 3504 3.37
One-ring cycloalkanes
One-ring cycloalkanes Primary Degradation
BioHCWin
(2008) [a]
(days)
Primary Degradation
BIOWIN 4
(2009)
Expert Survey[b]
C9
1,2,3-trimethylcyclohexane
4 3.67
C15
nonylcyclohexane
25 3.81
C20
tetradecylcyclohexane
53 3.71
C30
1,5-dimethyl-1-(3,7,11,15-tetramethyl-octadecyl)cyclohexane
154 3.24
C50 660 4.18
Two-ring cycloalkanes
Two-ring cycloalkanes Primary Degradation
BioHCWin
(2008) [a]
(days)
Primary Degradation
BIOWIN 4
(2009)
Expert Survey[b]
C9
cis-bicyclononane
56 3.67
C15
2-isopentadecylin
88 3.55
C20
2,4-dimethyloctyl-2-decalin
250 3.56
C30
2,4,6,10,14-pentamethyldodecyl-2-decalin
1761 3.51
C50 494 4.99
Polycycloalkanes
Polycycloalkanes Primary Degradation
BioHCWin
(2008) [a]
(days)
Primary Degradation
BIOWIN 4
(2009)
Expert Survey[b]
C14
hydrophenanthrene
117 3.57
C18
hydrochrysene
678 3.49
C22
hydropicene
4416 3.41
One-ring aromatics
One-ring aromatics Primary Degradation
BioHCWin
(2008) [a]
(days)
Primary Degradation
BIOWIN 4
(2009)
Expert Survey[b]
C9
ethylmethylbenzene
5 3.54
C15
2-nonylbenzene
14 3.76
C20
tetradecylbenzene
31 3.66
C30
1-benzyl-4,8,12,16-tetramethyleicosane
252 3.45
C50 1594 3.65
Cycloalkane monoaromatics
Cycloalkane monoaromatics Primary Degradation
BioHCWin
(2008) [a]
(days)
Primary Degradation
BIOWIN 4
(2009)
Expert Survey[b]
C10
tetralin
1.46 3.52
C15
methyloctahydro-phenanthrene
466 3.42
C20
ethyldodecahydro-chyrsene
469 3.32
Two-ring aromatics
Two-ring aromatics Primary Degradation
BioHCWin
(2008) [a]
(days)
Primary Degradation
BIOWIN 4
(2009)
Expert Survey[b]
C15
4-isopropylbiphenyl
8 3.50
C20
2-isodecylnaphthalene
24 3.66
C30
2-(4,8,14,18-tetramethyl-hexadecyl)naphthalene
145 3.46
C50 444 4.46
Cycloalkane diaromatics
Cycloalkane diaromatics Primary Degradation
BioHCWin
(2008) [a]
(days)
Primary Degradation
BIOWIN 4
(2009)
Expert Survey[b]
C12
acenaphthene
18.8 3.49
C15
ethylfluorene
16.5 3.50
C20
isoheptylfluorene
40.9 3.33
Three-ring PAHs
Three-ring PAHs Primary Degradation
BioHCWin
(2008) [a]
(days)
Primary Degradation
BIOWIN 4
(2009)
Expert Survey[b]
C15
2-methylphenanthrene
24 3.50
C20
2-isohexylphenanthrene
35 3.40
C30
2-(2,4,10-trimethyl-tridecyl)phenanthrene
212 3.20
C50
alkylated anthracene
12 690 3.66
Four-ring PAHs
Four-ring PAHs Primary Degradation
BioHCWin
(2008) [a]
(days)
Primary Degradation
BIOWIN 4
(2009)
Expert Survey[b]
C16
fluoranthene
191 2.85
C20
benzo[k]fluoranthene
285 2.78
Five-ring PAHs
Five-ring PAHs Primary Degradation
BioHCWin
(2008) [a]
(days)
Primary Degradation
BIOWIN 4
(2009)
Expert Survey[b]
C20
benzo[a]pyrene
422 2.78
C30
dimethyloctyl-
benzo[a]pyrene
2076 2.51
Six-ring PAHs
Six-ring PAHs Primary Degradation
BioHCWin
(2008) [a]
(days)
Primary Degradation
BIOWIN 4
(2009)
Expert Survey[b]
C22
benzo[ghi]perylene
517 2.75

Table A5.2 cont. Modelled data for primary (BioHCWin 2008; BIOWIN4 2009) and ultimate (BIOWIN3, 5 and 6 2009; CATABOL; TOPKAT) degradation of HFO components[a]

Ultimate Biodegradation
Alkanes
Alkanes BIOWIN
3 (2009)
Expert Survey[b]
BIOWIN
5 (2009)
MITI linear probability[c]
BIOWIN
6 (2009)
MITI non-linear probability[c]
CATABOL (2008)
% BOD
TOPKAT (2004)
Probability of biodegrad-ability
Extrapolated half-life compared with criteria (days)
C9
n-nonane
3.51 0.68 0.87 99.95 1 less than 182
C15
pentadecane
3.33 0.72 0.88 99.94 1 less than 182
C20
eicosane
3.17 0.76 0.89 89 1 less than 182
C30
triacontane
2.86 0.84 0.92 100 1 less than 182
C50 2.24 0.99 0.95 100 1 less than 182
Ultimate Biodegradation
Isoalkanes
Isoalkanes BIOWIN
3 (2009)
Expert Survey[b]
BIOWIN
5 (2009)
MITI linear probability[c]
BIOWIN
6 (2009)
MITI non-linear probability[c]
CATABOL (2008)
% BOD
TOPKAT (2004)
Probability of biodegrad-ability
Extrapolated half-life compared with criteria (days)
C9
2,3-dimethylheptane
3.21 0.38 0.50 9.45 1 less than 182
C15
2-methyltetra-decane
3.03 0.57 0.75 91.11 1 less than 182
C20
3-methyl-nonadecane
2.87 0.61 0.77 91 1 less than 182
C30
hexamethyl-tetracosane
2.26 -0.06 0.04 5.1 0[*] greater than or equal to 182
C50 2.24 0.84 0.87 89.9 1 greater than or equal to 182d
Ultimate Biodegradation
One-ring cycloalkanes
One-ring cycloalkanes BIOWIN
3 (2009)
Expert Survey[b]
BIOWIN
5 (2009)
MITI linear probability[c]
BIOWIN
6 (2009)
MITI non-linear probability[c]
CATABOL (2008)
% BOD
TOPKAT (2004)
Probability of biodegrad-ability
Extrapolated half-life compared with criteria (days)
C9
1,2,3-trimethyl-cyclohexane
2.92 0.43 0.32 2.64 0.011[*] less than 182
C15
nonyl-cyclohexane
3.04 0.57 0.65 57.9 1 less than 182
C20
tetradecyl-cyclohexane
2.88 0.63 0.75 64.1 1 less than 182
C30
1,5-dimethyl-1-(3,7,11,15-tetramethyl-octadecyl)-cyclohexane
2.27 -0.0007 0.02 3.5 0[*] greater than or equal to 182
C50 3.14 0.64 0.22 69.2 0[*] greater than or equal to 182 d
Ultimate Biodegradation
Two-ring cycloalkanes
Two-ring cycloalkanes BIOWIN
3 (2009)
Expert Survey[b]
BIOWIN
5 (2009)
MITI linear probability[c]
BIOWIN
6 (2009)
MITI non-linear probability[c]
CATABOL (2008)
% BOD
TOPKAT (2004)
Probability of biodegrad-ability
Extrapolated half-life compared with criteria (days)
C9
cis-bicyclononane
2.92 0.51 0.58 0 0.001 less than 182
C15
2-isopentadecylin
2.74 0.32 0.19 1.8 0 greater than or equal to 182
C20
2,4-dimethyl-octyl-2-decalin
2.67 0.45 0.26 4.5 0 greater than or equal to 182
C30
2,4,6,10,14- pentamethyl-dodecyl- 2-decalin
2.57 -0.16 0.01 4.6 0[*] greater than or equal to 182
C50 4.04 0.34 0.01 6.4 0[*] greater than or equal to 182
Ultimate Biodegradation
Polycycloalkanes
Polycycloalkanes BIOWIN
3 (2009)
Expert Survey[b]
BIOWIN
5 (2009)
MITI linear probability[c]
BIOWIN
6 (2009)
MITI non-linear probability[c]
CATABOL (2008)
% BOD
TOPKAT (2004)
Probability of biodegrad-ability
Extrapolated half-life compared with criteria (days)
C14
hydro-phenanthrene
2.77 0.39 0.24 0 0[*] greater than or equal to 182
C18
hydrochrysene
2.65 0.29 0.07 0 0[*] greater than or equal to 182
C22
hydropicene
2.54 0.19 0.02 0 0[*] greater than or equal to 182
Ultimate Biodegradation
One-ring aromatics
One-ring aromatics BIOWIN
3 (2009)
Expert Survey[b]
BIOWIN
5 (2009)
MITI linear probability[c]
BIOWIN
6 (2009)
MITI non-linear probability[c]
CATABOL (2008)
% BOD
TOPKAT (2004)
Probability of biodegrad-ability
Extrapolated half-life compared with criteria (days)
C9
ethylmethyl-benzene
2.78 0.37 0.44 10.67[*] 0.086 less than 182
C15
2-nonylbenzene
2.99 0.44 0.53 50.9 0.11 less than 182
C20
tetradecyl-benzene
2.84 0.47 0.56 90.6 0.001[*] less than 182
C30
1-benzyl-4,8,12,16-tetramethyl-eicosane
2.53 -0.05 0.04 5.1 0[*] greater than or equal to 182
C50 2.56 0.22 0.09 70 0.2[*] greater than or equal to 182 d
Ultimate Biodegradation
Cycloalkane monoaromatics
Cycloalkane monoaromatics BIOWIN
3 (2009)
Expert Survey[b]
BIOWIN
5 (2009)
MITI linear probability[c]
BIOWIN
6 (2009)
MITI non-linear probability[c]
CATABOL (2008)
% BOD
TOPKAT (2004)
Probability of biodegrad-ability
Extrapolated half-life compared with criteria (days)
C10
tetralin
2.76 0.28 0.36 0.71 0.003 less than 182
C15
methyl-octahydro-phenanthrene
2.61 0.19 0.13 0.91[*] 0 greater than or equal to 182
C20
ethyl-dodecahydro-chyrsene
2.46 0.10 0.04 2.91 0[*] greater than or equal to 182
Ultimate Biodegradation
Two-ring aromatics
Two-ring aromatics BIOWIN
3 (2009)
Expert Survey[b]
BIOWIN
5 (2009)
MITI linear probability[c]
BIOWIN
6 (2009)
MITI non-linear probability[c]
CATABOL (2008)
% BOD
TOPKAT (2004)
Probability of biodegrad-ability
Extrapolated half-life compared with criteria (days)
C15
4-isopropyl-biphenyl
2.71 0.19 0.15 12.16 0[*] greater than or equal to 182
C20
2-isodecyl-naphthalene
2.83 0.16 0.12 3.8 0[*] greater than or equal to 182
C30
2-(4,8,14,18-tetramethyl-
hexadecyl)-naphthalene
2.52 -0.06 0.03 4.6 0[*] greater than or equal to 182
C50 3.46 -0.59 0.0004 3.4 0[*] greater than or equal to 182
Ultimate Biodegradation
Cycloalkane diaromatics
Cycloalkane diaromatics BIOWIN
3 (2009)
Expert Survey[b]
BIOWIN
5 (2009)
MITI linear probability[c]
BIOWIN
6 (2009)
MITI non-linear probability[c]
CATABOL (2008)
% BOD
TOPKAT (2004)
Probability of biodegrad-ability
Extrapolated half-life compared with criteria (days)
C12
acenaphthene
2.71 0.19 0.19 3.82 0 greater than or equal to 182
C15
ethylfluorene
2.70 0.15 0.10 1.03[*] 0 less than 182
C20
isoheptyl-fluorene
2.47 -0.03 0.036 2.36[*] 0.916 less than 182
Ultimate Biodegradation
Three-ring PAHs
Three-ring PAHs BIOWIN
3 (2009)
Expert Survey[b]
BIOWIN
5 (2009)
MITI linear probability[c]
BIOWIN
6 (2009)
MITI non-linear probability[c]
CATABOL (2008)
% BOD
TOPKAT (2004)
Probability of biodegrad-ability
Extrapolated half-life compared with criteria (days)
C15
2-methyl-
phenanthrene
2.70 0.26 0.16 21.2[*] 0.004 less than 182
C20
2-isohexyl-phenanthrene
2.54 -0.0012 0.036 3.99[*] 0.302 greater than or equal to 182
C30
2-(2,4,10-trimethyl-tridecyl)-phenanthrene
2.23 -0.22 0.01 5.6 0[*] greater than or equal to 182
C50
alkylated anthracene
2.58 -0.11 0.01 56.6 0[*] greater than or equal to 182 d
Ultimate Biodegradation
Four-ring PAHs
Four-ring PAHs BIOWIN
3 (2009)
Expert Survey[b]
BIOWIN
5 (2009)
MITI linear probability[c]
BIOWIN
6 (2009)
MITI non-linear probability[c]
CATABOL (2008)
% BOD
TOPKAT (2004)
Probability of biodegrad-ability
Extrapolated half-life compared with criteria (days)
C16
fluoranthene
1.95 0.19 0.11 19.67[*] 0 greater than or equal to 182
C20
benzo[k]-fluoranthene
1.84 0.06 0.035 9.3 0 greater than or equal to 182
Ultimate Biodegradation
Five-ring PAHs
Five-ring PAHs BIOWIN
3 (2009)
Expert Survey[b]
BIOWIN
5 (2009)
MITI linear probability[c]
BIOWIN
6 (2009)
MITI non-linear probability[c]
CATABOL (2008)
% BOD
TOPKAT (2004)
Probability of biodegrad-ability
Extrapolated half-life compared with criteria (days)
C20
benzo[a]pyrene
1.84 0.06 0.035 9.29[*] 0[*] greater than or equal to 182
C30
dimethyloctyl-
benzo[a]pyrene
1.46 -0.32 0.002 6.6 0[*] greater than or equal to 182
Ultimate Biodegradation
Six-ring PAHs
Six-ring PAHs BIOWIN
3 (2009)
Expert Survey[b]
BIOWIN
5 (2009)
MITI linear probability[c]
BIOWIN
6 (2009)
MITI non-linear probability[c]
CATABOL (2008)
% BOD
TOPKAT (2004)
Probability of biodegrad-ability
Extrapolated half-life compared with criteria (days)
C22
benzo[ghi]-perylene
1.79 -0.011 0.018 2.9 0[*] greater than or equal to 182

Abbreviations: BOD, biological oxygen demand; MITI, Ministry of International Trade & Industry, Japan
[a] Half-life estimations are for non-specific media (i.e., water, soil and sediment).
[b] Output is a numerical score from 0–5.
[c] Output is a probability score.
[d] Extrapolated half-life compared with criteria (days) based on BioHCWin results (2008).
[*] Modelled results were found to be out of domain and therefore not considered for persistence. For modelled results of CATABOL that were found to be out of domain, it was assumed that results for TOPKAT, BIOWIN 5, 6 were also out of domain because these models use the same dataset. In these cases, only BIOWIN 3, 4 and BioHCWin were considered when determining the persistence of the component.

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Table A5.3. Potential presence of persistent representative structures

Isoalkanes
Isoalkanes CAS RN
64741-75-9
CAS RN
68789-08-4
CAS RN
70592-76-6
CAS RN
70592-77-7
CAS RN
70592-78-8
C30 Yes Yes Yes Yes Yes
C50 Yes       Yes
One-ring cycloalkanes
One-ring cycloalkanes CAS RN
64741-75-9
CAS RN
68789-08-4
CAS RN
70592-76-6
CAS RN
70592-77-7
CAS RN
70592-78-8
C30 Yes Yes Yes Yes Yes
C50 Yes        
Two-ring cycloalkanes
Two-ring cycloalkanes CAS RN
64741-75-9
CAS RN
68789-08-4
CAS RN
70592-76-6
CAS RN
70592-77-7
CAS RN
70592-78-8
C15   Yes      
C20   Yes Yes Yes Yes
C30 Yes Yes Yes Yes Yes
C50 Yes        
Polycycloalkanes
Polycycloalkanes CAS RN
64741-75-9
CAS RN
68789-08-4
CAS RN
70592-76-6
CAS RN
70592-77-7
CAS RN
70592-78-8
C14   Yes Yes Yes  
C18   Yes Yes Yes Yes
C22 Yes Yes Yes Yes Yes
One-ring aromatics
One-ring aromatics CAS RN
64741-75-9
CAS RN
68789-08-4
CAS RN
70592-76-6
CAS RN
70592-77-7
CAS RN
70592-78-8
C30 Yes Yes Yes Yes Yes
C50 Yes        
Cycloalkane monoaromatics
Cycloalkane monoaromatics CAS RN
64741-75-9
CAS RN
68789-08-4
CAS RN
70592-76-6
CAS RN
70592-77-7
CAS RN
70592-78-8
C15   Yes Yes Yes Yes
C20 Yes Yes Yes Yes Yes
Two-ring aromatics
Two-ring aromatics CAS RN
64741-75-9
CAS RN
68789-08-4
CAS RN
70592-76-6
CAS RN
70592-77-7
CAS RN
70592-78-8
C15   Yes Yes Yes Yes
C20 Yes Yes Yes Yes Yes
C30 Yes Yes Yes Yes Yes
C50 Yes        
Cycloalkane diaromatics
Cycloalkane diaromatics CAS RN
64741-75-9
CAS RN
68789-08-4
CAS RN
70592-76-6
CAS RN
70592-77-7
CAS RN
70592-78-8
C12   Yes Yes Yes Yes
Three-ring aromatics
Three-ring aromatics CAS RN
64741-75-9
CAS RN
68789-08-4
CAS RN
70592-76-6
CAS RN
70592-77-7
CAS RN
70592-78-8
C20 Yes Yes Yes Yes Yes
C30 Yes Yes Yes Yes Yes
C50 Yes        
Four-ring aromatics
Four-ring aromatics CAS RN
64741-75-9
CAS RN
68789-08-4
CAS RN
70592-76-6
CAS RN
70592-77-7
CAS RN
70592-78-8
C16 Yes Yes Yes Yes Yes
C20 Yes Yes Yes Yes Yes
Five-ring aromatics
Five-ring aromatics CAS RN
64741-75-9
CAS RN
68789-08-4
CAS RN
70592-76-6
CAS RN
70592-77-7
CAS RN
70592-78-8
C20 Yes Yes Yes Yes Yes
C30 Yes   Yes Yes Yes
Six-ring aromatics
Six-ring aromatics CAS RN
64741-75-9
CAS RN
68789-08-4
CAS RN
70592-76-6
CAS RN
70592-77-7
CAS RN
70592-78-8
C22 Yes Yes Yes Yes Yes

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Table A5.4. Proportion (weight %) of persistent representative structures in three samples of Fuel Oil No. 6 (Fuhr 2008)

Persistent[*] representative structures with boiling points greater than  500°C
  Boiling point (°C) Weight %
Sample A
Weight %
Sample B
Weight %
Sample C
Weight %
Average
Isoalkane C50 548 6.8 4 10.1 7.0
One-ring cycloalkane C50 699 6.8 4 10.1 7.0
Two-ring cycloalkane C50 687 6.8 4 10.1 7.0
One-ring aromatic C50 697 22.1 21.3 24.3 22.6
Two-ring aromatic C50 722 22.1 21.3 24.3 22.6
Three-ring aromatic C50 746 22.1 21.3 24.3 22.6
Five-ring aromatic C30 545 22.1 21.3 24.3 22.6
Six-ring aromatic C22 greater than  500 22.1 21.3 24.3 22.6
Persistent[*] representative structures with boiling boints from 200 –500°C
  Boiling point (°C) Weight %
Sample A
Weight %
Sample B
Weight %
Sample C
Weight %
Average
Isoalkanes C30 350 8.3 2.8 3.5 4.9
One-ring cycloalkanes C30 421 3.4 2.0 1.9 2.4
Two-ring cycloalkanes C15 244 2.9 1.8 1.8 2.2
Two-ring cycloalkanes C20 339 2.9 1.8 1.8 2.2
Two-ring cycloalkanes C30 420 2.9 1.8 1.8 2.2
Polycycloalkanes C14 225 2.8 2.2 3.2 2.7
Polycycloalkanes C18 316 2.8 2.2 3.2 2.7
Polycycloalkanes C22 365 2.8 2.2 3.2 2.7
One-ring aromatics C30 437 1.7 4.2 2.2 2.7
Cycloalkane monoaromatics C15 285 2.2 4.3 2.6 3.0
Cycloalkane monoaromatics C20 351 2.2 4.3 2.6 3.0
Two-ring aromatics C15 308 1.1 6.0 4.5 3.9
Two-ring aromatics C20 373 1.1 6.0 4.5 3.9
Two-ring aromatics C30 469 1.1 6.0 4.5 3.9
Cycloalkane diaromatics C12 279 0.8 1.7 2.4 1.6
Three-ring aromatics C20 398 0.9 2.3 3.9 2.4
Three-ring aromatics C30 493 0.9 2.3 3.9 2.4
Four-ring aromatics C16 384 1.2 1.4 2.7 1.8
Four-ring aromatics C20 480 0.6 0.5 0.6 0.6
Five-ring aromatics C20 495 0.4 0.4 0.2 0.3
Totals   55.2 54.9 63.9 58.1
[a] Based on results from Table A5.2 (Appendix 5) and as set out by the Persistence and Bioaccumulation Regulations (Canada 2000).

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Table A5.5. Modelled atmospheric degradation of representative structures for HFOs via reaction with hydroxyl radicals (AOPWIN 2008)

Alkanes
Alkanes Half-life (days) [a]
OH•
C9 1.1
C15 1
C20 0.4
C30 0.3
C50 0.2
Isoalkanes
Isoalkanes Half-life (days) [a]
OH•
C9 1.1
C15 0.6
C20 0.4
C30 0.3
C50 0.2
One-ring cycloalkanes
One-ring cycloalkanes Half-life (days) [a]
OH•
C9 0.8
C15 0.5
C20 0.4
C30 0.2
C50 0.2
Two-ring cycloalkanes
Two-ring cycloalkanes Half-life (days) [a]
OH•
C9 0.8
C15 0.4
C20 0.3
C30 0.2
C50 0.1
Polycycloalkanes
Polycycloalkanes Half-life (days) [a]
OH•
C14 0.4
C18 0.3
C22 0.2
One-ring aromatics
One-ring aromatics Half-life (days) [a]
OH•
C9 1.4
C15 0.7
C20 0.5
C30 0.3
C50  0.2
Cycloalkane monoaromatics
Cycloalkane monoaromatics Half-life (days) [a]
OH•
C10 0.3
C15 0.5
C20 0.3
Two-ring aromatics
Two-ring aromatics Half-life (days) [a]
OH•
C15 0.2
C20 0.2
C30 0.1
C50 0.1
Cycloalkane diaromatics
Cycloalkane diaromatics Half-life (days) [a]
OH•
C12 0.2
C15 0.6
C20 0.5
Three-ring PAHs
Three-ring PAHs Half-life (days) [a]
OH•
C15 0.3
C20 0.3
C30 0.2
C50 0.1
Four-ring PAHs
Four-ring PAHs Half-life (days) [a]
OH•
C16 0.4
C20 0.2
Five-ring PAHs
Five-ring PAHs Half-life (days) [a]
OH•
C20 0.2
C30 0.1
Six-ring PAHs
Six-ring PAHs Half-life (days) [a]
OH•
C22 0.1
[a] Half-life estimations are for non-specific media (i.e., water, soil and sediment).

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Table A5.6. Experimental BAFs for aromatic hydrocarbons

One-ring aromatics
One-ring aromatics Reference; Study Log Kow BAF
experimental
(L/kg ww)
C6
benzene
Zhou et al. 1997
Atlantic salmon (white muscle); 96-hour (WSF of crude oil)
2.13 (expt.) 4
C7
toluene
Zhou et al. 1997
Atlantic salmon (white muscle); 96-hour (WSF of crude oil)
2.73 (expt.) 11
C8
ethylbenzene
Zhou et al. 1997
Atlantic salmon (white muscle); 96-hour (WSF of crude oil)
3.15 (expt.) 26
C8
xylenes
Zhou et al. 1997
Atlantic salmon (white muscle); 96-hour (WSF of crude oil)
3.12 (expt.) 47
C9
isopropylbenzene
Zhou et al. 1997
Atlantic salmon (white muscle); 96-hour (WSF of crude oil)
3.66 (expt.) 20
C9
propylbenzene
Zhou et al. 1997
Atlantic salmon (white muscle); 96-hour (WSF of crude oil)
3.69 (expt.) 36
C9
ethylmethylbenzene
Zhou et al. 1997
Atlantic salmon (white muscle); 96-hour (WSF of crude oil)
3.98 (expt.) 51
C9
trimethylbenzene
Zhou et al. 1997
Atlantic salmon (white muscle); 96-hour (WSF of crude oil)
3.66 (expt.) 74
Two-ring aromatics
One-ring aromatics Reference; Study Log Kow BAF
experimental
(L/kg ww)
C10
naphthalene
Neff et al. 1976
Clam; 24-hour (oil-in-water dispersion of No. 2 fuel oil) lab study
3.30 (expt.) 2.3
C11
methyl naphthalenes
Zhou et al. 1997
Atlantic salmon (white muscle); 96-hour (WSF of crude oil) lab study
3.87 (expt.) 230
C11
1-methylnaphthalene
Neff et al. 1976
Clam; 24-hour (oil-in-water dispersion of No. 2 fuel oil) lab study
3.87 (expt.) 8.5
C11
2-methylnaphthalene
Neff et al. 1976
Clam; 24-hour (oil-in-water dispersion of No. 2 fuel oil) lab study
3.86 (expt.) 8.1
C12
dimethylnaphthalene
Neff et al. 1976
Clam; 24-hour (oil-in-water dispersion of No. 2 fuel oil) lab study
4.31 (expt.) 17.1
C13
trimethylnaphthalene
Neff et al. 1976
Clam; 24-hour (oil-in-water dispersion of No. 2 fuel oil) lab study
4.81 26.7
Three-ring aromatics
One-ring aromatics Reference; Study Log Kow BAF
experimental
(L/kg ww)
C14
phenanthrene
Burkhard and Lukasewycz 2000
Lake trout; field study
4.57 87
C16
fluoranthene
Burkhard and Lukasewycz 2000
Lake trout; field study
5.23 1550
C18
chrysene
Burkhard and Lukasewycz 2000
Lake trout; field study
5.81 3990

Abbreviation: (expt.), experimental log Kow data

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Table A5.7. Summary of empirical aquatic bioconcentration factors (BCFs) for various PAHs (adapted from European Commission 2008b)

Fish
Substance Species Exposure time BCF (L/kg ww) Reference
fluoranthene Pimephales promelas (fathead minnow) 24 hours 9054 Weinstein and Oris 1999
pyrene Poecilia reticulate (guppy) 48 hours 11 300 De Voogt et al. 1991
pyrene Cyprinodon variegatus (sheepshead minnow) 36 days 145[a], 97[b] Jonsson et al. 2004
benzo[a]pyrene Lepomis macrochirus
(bluegill sunfish)
48 hours 608 Jimenez et al. 1987
Molluscs
Substance Species Exposure time BCF (L/kg ww) Reference
fluoranthene Mytilus edulis
(blue mussel)
96 hours 5920 McLeese and Burridge 1987
fluoranthene Mya arenaria
(clam)
96 hours 4120 McLeese and Burridge 1987
pyrene M. edulis 96 hours 4430 McLeese and Burridge 1987
pyrene M. arenaria 96 hours 6430
Crustaceans
Substance Species Exposure time BCF (L/kg ww) Reference
fluoranthene Daphnia magna (water flea) 24 hours 1742 Newsted and Giesy 1987
fluoranthene Cragon septemspinosa (sand shrimp) 96 hours 180 McLeese and Burridge 1987
pyrene D. magna 24 hours 2702 Newsted and Giesy 1987
pyrene C. septemspinosa 96 hours 225 McLeese and Burridge 1987
chrysene D. magna 24 hours 6088 Newsted and Giesy 1987
benzo[a]anthracene D. magna 24 hours 2920 McCarthy et al. 1985
benzo[a]anthracene D. magna 24 hours 10 226 Newsted and Giesy 1987
benzo[k]fluoranthene D. magna 24 hours 13 225 Newsted and Giesy 1987
benzo[a]pyrene D. magna 24 hours 12 761 Newsted and Giesy 1987
benzo[e]pyrene D. magna 24 hours 25 200 Newsted and Giesy 1987
benzo[ghi]perylene D. magna 24 hours 28 288 Newsted and Giesy 1987
Polychaetes
Substance Species Exposure time BCF (L/kg ww) Reference
fluoranthene Nereis virens
(sandworm)
96 hours 720 McLeese and Burridge 1987
pyrene N. virens 96 hours 700 McLeese and Burridge 1987
[a] Low exposure level (7.57 µg/L).
[b] High exposure level (72.31 µg/L).

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