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

Appendices

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

Table A5.8. Fish BAF and BCF predictions for representative structures of HFOs using the modified Arnot-Gobas three trophic level model (2004) with corrections for metabolism rate (kM) and dietary assimilation efficiency (Ed)

Alkanes
AlkanesLog KowMetabolic rate constant
for MTL fish
(day-1)[a]
BCF[b]
MTL fish
(L/kg ww)
BAF[b]
MTL fish
(L/kg ww)
C9
n-nonane
(111-84-2)
5.70.0919054074
C15
pentadecane
(629-62-9)
7.70.44 [c]42550


Isoalkanes[*]
IsoalkanesLog KowMetabolic rate constant
for MTL fish
(day-1)[a]
BCF[b]
MTL fish
(L/kg ww)
BAF[b]
MTL fish
(L/kg ww)
C9
2,3-dimethylheptane
(3074-71-3)
4.60.18421403000
C15
2-methyltetradecane
(1560-95-8)
7.50.020[d]1148181 970[q]


One-ring cycloalkanes[*]
One-ring cycloalkanesLog KowMetabolic rate constant
for MTL fish
(day-1)[a]
BCF[b]
MTL fish
(L/kg ww)
BAF[b]
MTL fish
(L/kg ww)
C9
1,2,3-trimethyl-cyclohexane
(1678-97-3)
4.40.099661000
C15
nonylcyclohexane
(2883-02-5)
7.50.023[f]263022 909


Two-ring cycloalkanes[*]
Two-ring cycloalkanesLog KowMetabolic rate constant
for MTL fish
(day-1)[a]
BCF[b]
MTL fish
(L/kg ww)
BAF[b]
MTL fish
(L/kg ww)
C9
cis-bicyclononane (4551-51-3)
3.70.08272280
C15
2-isopentadecalin
6.30.04[h]32367244


Polycycloalkanes[*]
PolycycloalkanesLog KowMetabolic rate constant
for MTL fish
(day-1)[a]
BCF[b]
MTL fish
(L/kg ww)
BAF[b]
MTL fish
(L/kg ww)
C14
hydrophenanthrene
5.10.01[i]58888511
C18
hydrochrysene
6.20.45[j]10233548
C22
hydropicene
7.30.04[k]87131 623


One-ring aromatics[*]
One-ring aromaticsLog KowMetabolic rate constant
for MTL fish
(day-1)[a]
BCF[b]
MTL fish
(L/kg ww)
BAF[b]
MTL fish
(L/kg ww)
C9
ethylmethylbenzene
(25550-14-5)
3.60.31191191
C15
2-nonylbenzene
(1081-77-2)
7.1 (expt.)0.01[l]4365151 356


Cycloalkane monoaromatics
Cycloalkane monoaromaticsLog KowMetabolic rate constant
for MTL fish
(day-1)[a]
BCF[b]
MTL fish
(L/kg ww)
BAF[b]
MTL fish
(L/kg ww)
C10
tetralin
(tetrahydro-naphthalene)
(119-64-2)
3.5 (expt.)0.00214562
C15
methyloctahydro-phenanthrene
5.60.13[m]26305445
C20
ethyldodecahydro-chyrsene
6.90.08[n]169825 119


Two-ring aromatics[*]
Two-ring aromaticsLog KowMetabolic rate constant
for MTL fish
(day-1)[a]
BCF[b]
MTL fish
(L/kg ww)
BAF[b]
MTL fish
(L/kg ww)
C15
4-isopropylbiphenyl
5.5 (expt.)0.65[o]8711175


Cyclolkane diaromatics
Cyclolkane diaromaticsLog KowMetabolic rate constant
for MTL fish
(day-1)[a]
BCF[b]
MTL fish
(L/kg ww)
BAF[b]
MTL fish
(L/kg ww)
C12
acenaphthene
(83-32-9)
3.92 (expt.)0.10275380
C15
ethylfluorene
5.050.23730809
C20
isoheptylfluorene
7.40.06[p]50126 915


Three-ring aromatics[*]
Three-ring aromaticsLog KowMetabolic rate constant
for MTL fish
(day-1)[a]
BCF[b]
MTL fish
(L/kg ww)
BAF[b]
MTL fish
(L/kg ww)
C15
2-methylphenanthrene
(2531-84-2)
4.90.20789851
C20
2-isohexylphenanthrene
7.20.04110060 256


Four-ring aromatics
Four-ring aromaticsLog KowMetabolic rate constant
for MTL fish
(day-1)[a]
BCF[b]
MTL fish
(L/kg ww)
BAF[b]
MTL fish
(L/kg ww)
C16
fluoranthene
(206-44-0)
5.2 (expt.)0.13516563
C20
benzo[k]fluoranthene
(207-08-9)
6.1 (expt.)0.11393676


Five-ring aromatics[*]
Five-ring aromaticsLog KowMetabolic rate constant
for MTL fish
(day-1)[a]
BCF[b]
MTL fish
(L/kg ww)
BAF[b]
MTL fish
(L/kg ww)
C20
benzo[a]pyrene
(50-32-8)
6.1 (expt.)0.38500984


Six-ring aromatics
Six-ring aromaticsLog KowMetabolic rate constant
for MTL fish
(day-1)[a]
BCF[b]
MTL fish
(L/kg ww)
BAF[b]
MTL fish
(L/kg ww)
C22
benzo[ghi]perylene
(191-24-2)
6.6 (expt.)1.1391.2161

Abbreviation: (expt.), experimental log Kow data

[a] Metabolic rate constant normalized to middle trophic level (MTL) fish in Arnot-Gobas three trophic level model (2004) at W = 184 g, T = 10°C, L = 6.8%) based on estimated QSAR vaues from BCFBAF v3.01 unless otherwise indicated
[b] Arnot-Gobas BCF and BAF predictions for middle trophic level fish using three trophic level model (Arnot and Gobas 2004) using normalized rate constant and correcting for observed or estimated dietary assimilation efficiency reported in Tables A5.9a and A5.9b (Appendix 5).
[c] Based on rate constant data for C15 n-pentadecane.
[d] Based rate constant for C15 2,6,10-trimethyldodecane.
[e] Based on rate constant for C9 1,2,3-trimethylbenzene.
[f] Based on rate constant data for octylcyclohexane.
[h] Based on rate constant data for isopropyldecalin and diisopropyldecalin.
[i] Based on rate constant data for isopropyl hydrophenanthrene and 1-methyl-7-(isopropyl)-hydrophenanthrene.
[j] Based on rate constant data for octahydrochrysene, perhydrochrysene and hexahydrochrysene.
[k] Based on rate constant data for dodecahydrochrysene.
[l] Based on rate constant data for octylbenzene and decylbenzene.
[m] Based on rate constant data for octahydrophenanthrene.
[n] Based on rate constant data for dodecahydrochrysene.
[o] Based on rate constant data for ethylbiphenyl.
[p] Based on rate constant data for fluorene as worst case (more bioavailable).
[q] Bolded values refer to BAFs greater than or equal to 5000 based on the Persistence and Bioaccumulation Regulations (Canada 2000a)
[*] Alkanes C20–C50, Isoalkanes C20–C50, One-ring cycloalkanes C20–C50, Two-ring cycloalkanes C20–C50, One-ring aromatic C20–C50, Two-ring aromatic C20–C50, Three-ring aromatic C30–C50 and Five-ring aromatic C30 all having values of log Kow greater than 8 were excluded from this comparison, as model predictions may be highly uncertain for chemicals that have estimated log Kow values greater than 8 (Arnot and Gobas 2003).

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Table A5.9a. Experimental BCFs and predicted BCFs and BAFs normalized to BCF study conditions and a middle trophic level fish for selected representative structures using a modified version of the Arnot-Gobas BCFBAF model (2003)

Alkanes
AlkanesLog KowStudy endpointBCF or BMF
measured
(L/kg ww)
Predicted BCF[a]
(L/kg ww)

Study conditions [b]
Predicted BCF[a]
(L/kg ww)

MTL fish [c]
Predicted BAF[a]
(L/kg ww)

Study conditions[b]
Predicted BAF[a]
(L/kg ww)

MTL Fish [c]
Reference; species
C8
octane[h]
5.18 (expt.)BCFss[1]530537490560537JNITE 2010; carp
C12
n-dodecane[h]
6.10 (expt.)BCFss[1]2402407942511950Tolls and van Dijk 2002, fathead minnow
C15
n-pentadecane
7.71BCFss[1]202118100112CITI 1992; carp
C15
n-pentadecane
7.71BCFss[1]262723162182JNITE 2010; carp
C16
n-hexadecane[h]
8.20BCFss[1]46474117781995CITI 1992; carp
C16
n-hexadecane[h]
3.15 (expt.)BCFss[1]2020202121JNITE 2010; carp


Isoalkanes
IsoalkanesLog KowStudy endpointBCF or BMF
measured
(L/kg ww)
Predicted BCF[a]
(L/kg ww)

Study conditions [b]
Predicted BCF[a]
(L/kg ww)

MTL fish [c]
Predicted BAF[a]
(L/kg ww)

Study conditions[b]
Predicted BAF[a]
(L/kg ww)

MTL Fish [c]
Reference; species
C15
2,6,10-trimethyl-dodecane[h]
7.49BCFss[1]152

151

1000[d]

85

575[d]

490

16 595[d]

575

47 863[d]

EMBSI 2006a; rainbow trout
C15
2,6,10-trimethyl-dodecane[h]
7.49BMFkinetic0.97[f]n/an/an/an/aEMBSI 2004a, 2005a; rainbow trout


One-ring cycloalkanes
One-ring cycloalkanesLog KowStudy endpointBCF or BMF
measured
(L/kg ww)
Predicted BCF[a]
(L/kg ww)

Study conditions [b]
Predicted BCF[a]
(L/kg ww)

MTL fish [c]
Predicted BAF[a]
(L/kg ww)

Study conditions[b]
Predicted BAF[a]
(L/kg ww)

MTL Fish [c]
Reference; species
C6
cyclohexane[h]
3.44 (expt.)BCFss[1]7777897789CITI 1992; carp
C7
1-methyl-cyclohexane[h]
3.61 (expt.)BCFss[1]240190[*]275[*]229[*]426[*]CITI 1992; carp
C8
ethyl-cyclohexane[h]
4.56 (expt.)BCFss[1]25291622[*]2344[*]4467[*]5495[*]CITI 1992; carp
C14 n-octyl-cyclohexane7.0BMFkinetic0.06n/an/an/an/aEMBSI 2006a; BMF rainbow trout


Two-ring cycloalkanes
Two-ring cycloalkanesLog KowStudy endpointBCF or BMF
measured
(L/kg ww)
Predicted BCF[a]
(L/kg ww)

Study conditions [b]
Predicted BCF[a]
(L/kg ww)

MTL fish [c]
Predicted BAF[a]
(L/kg ww)

Study conditions[b]
Predicted BAF[a]
(L/kg ww)

MTL Fish [c]
Reference; species
C10
trans-decalin[h]
4.20BCFss[1]2200724[*]1072[*]1288[*]1660[*]CITI 1992; carp
C10
cis-decalin[h]
4.20BCFss[1]2500724[*]1072[*]1288[*]1660[*]CITI 1992; carp
C13 isopropyl-decalin[h]5.50BMFkinetic0.02n/an/an/an/aEMBSI 2006a; BMF rainbow trout
C16 diisopropyl-decalin[h]6.85BMFkinetic0.1n/an/an/an/aEMBSI 2008a; BMF rainbow trout


Polycyclo-alkanes
Polycyclo-alkanesLog KowStudy endpointBCF or BMF
measured
(L/kg ww)
Predicted BCF[a]
(L/kg ww)

Study conditions [b]
Predicted BCF[a]
(L/kg ww)

MTL fish [c]
Predicted BAF[a]
(L/kg ww)

Study conditions[b]
Predicted BAF[a]
(L/kg ww)

MTL Fish [c]
Reference; species
C17
isopropyl-hydro-phenanthrene[h]
6.5BMFkinetic0.45n/an/an/an/aEMBSI 2006b BMF Rainbow Trout
C18
1-methyl-7-(isopropyl)-hydro-phenanthrene[h]
7.0BMFkinetic0.35n/an/an/an/aEMBSI 2008a; BMF rainbow trout
C18
perhydro-chrysene
6.0BMFkinetic0.38n/an/an/an/aEMBSI 2008b; BMF rainbow trout


One-ring aromatics
One-ring aromaticsLog KowStudy endpointBCF or BMF
measured
(L/kg ww)
Predicted BCF[a]
(L/kg ww)

Study conditions [b]
Predicted BCF[a]
(L/kg ww)

MTL fish [c]
Predicted BAF[a]
(L/kg ww)

Study conditions[b]
Predicted BAF[a]
(L/kg ww)

MTL Fish [c]
Reference; species
C9
1,2,3-trimethyl-benzene[h]
3.66 (expt.)BCFss[1]133[e]135155135155CITI 1992; carp
C10
1,2-diethyl-benzene[h]
3.72 (expt.)BCFss[1]516[e]245[*]355[*]309[*]427[*]CITI 1992; carp
C11
1-methyl-4-tertbutyl-benzene[h]
3.66 (expt.)BCFss[1]less than 1.0214[*]309[*]263[*]263[*]JNITE 2010; carp
C14 n-octyl-benzene[h]6.3 (expt.)BMFkinetic0.02[f]n/an/an/an/aEMBSI 2007a, 2007b; BMF rainbow trout and carp
C16 decyl-benzene[h]7.4 (expt.)BMFkinetic0.18n/an/an/an/aEMBSI 2005c; BMF rainbow trout


Cycloalkane
monoaromatics
Cycloalkane
monoaromatics
Log KowStudy endpointBCF or BMF
measured
(L/kg ww)
Predicted BCF[a]
(L/kg ww)

Study conditions [b]
Predicted BCF[a]
(L/kg ww)

MTL fish [c]
Predicted BAF[a]
(L/kg ww)

Study conditions[b]
Predicted BAF[a]
(L/kg ww)

MTL Fish [c]
Reference; species
C10
tetralin
3.49 (expt.)BCFss[1]230145[*]214[*]166[*]562[*]CITI 1992; carp
C14
octahydro- phenanthrene[h]
5.9BCFss[1]3418n/an/an/an/aEMBSI 2005d; BCF rainbow trout
C14
octahydro- phenanthrene[h]
5.9BMFkinetic[1]0.13n/an/an/an/aEMBSI 2009; BMF rainbow trout
C18
dodecahydro- chyrsene[h]
6.00BCFss[1]4588n/an/an/an/aEMBSI 2008c; rainbow trout
C18
dodecahydro- chyrsene[h]
6.00BMFkinetic[1]0.17n/an/an/an/aEMBSI 2010a; BMF rainbow trout


Two-ring aromatics
Two-ring aromaticsLog KowStudy endpointBCF or BMF
measured
(L/kg ww)
Predicted BCF[a]
(L/kg ww)

Study conditions [b]
Predicted BCF[a]
(L/kg ww)

MTL fish [c]
Predicted BAF[a]
(L/kg ww)

Study conditions[b]
Predicted BAF[a]
(L/kg ww)

MTL Fish [c]
Reference; species
C10
naphthalene[h]
3.30 (expt.)BCFss[1]9495[*]138[*]105[*]148[*]JNITE 2010; carp
 3.30 (expt.)BCFss[1]93[e]95[*]138[*]105[*]148[*]CITI 1992; carp
C11
2-methyl-naphthalene[h]
3.86 (expt.)BCFss[1]
BCFkinetic[1]
2886[e]
3930[f]
2 884[*]n/a2884[*]n/aJonsson et al. 2004; sheepshead minnow
C12
1,3-dimethyl-naphthalene[h]
4.42 (expt.)BCFss[1]
BCFkinetic[1]
4039[e]
5751[f]
4073n/a4073n/aJonsson et al. 2004; sheepshead minnow
C13
2-isopropyl-naphthalene
4.63BCFss[1]
BCFkinetic[1]
12 902[e]
33 321[f]
12 882n/a12 882n/aJonsson et al. 2004; sheepshead minnow
C14
4-ethyl-biphenyl[h]
4.80BCFss[1]839[e]832759851813Yakata et al. 2006; carp


Cycloalkane diaromatics
Cycloalkane diaromaticsLog KowStudy endpointBCF or BMF
measured
(L/kg ww)
Predicted BCF[a]
(L/kg ww)

Study conditions [b]
Predicted BCF[a]
(L/kg ww)

MTL fish [c]
Predicted BAF[a]
(L/kg ww)

Study conditions[b]
Predicted BAF[a]
(L/kg ww)

MTL Fish [c]
Reference; species
C12
acenaphthene
3.92 (expt.)BCFss[1]991[e]389562977741CITI 1992; carp
C18
hexahydro- terphenyl[h]
6.44BCFss[1]1646n/an/an/an/aEMBSI 2008c; rainbow trout
C18
hexahydro- terphenyl[h]
6.44BMFkinetic0.06n/an/an/an/aEMBSI 2009; rainbow trout
C18
octahydro-chrysene[h]
6.0BMFkinetic0.05n/an/an/an/aEMBSI 2010a; BMF rainbow trout
C18
hexahydro- chrysene[h]
5.8BMFkinetic0.05n/an/an/an/aEMBSI 2010a; BMF rainbow trout


Three- and Four-ring aromatics
Three- and Four-ring aromaticsLog KowStudy endpointBCF or BMF
measured
(L/kg ww)
Predicted BCF[a]
(L/kg ww)

Study conditions [b]
Predicted BCF[a]
(L/kg ww)

MTL fish [c]
Predicted BAF[a]
(L/kg ww)

Study conditions[b]
Predicted BAF[a]
(L/kg ww)

MTL Fish [c]
Reference; species
C12
acenaph-thylene[h]
3.94 (expt.)BCFss[1]275[e]275380275380Yakata et al. 2006; carp
C13
fluorene[h]
4.18 (expt.)BCFss[1]1030[e]1023107110233311CITI 1992 (carp); Carlson et al. 1979 (fathead minnow)
C14
phenanthrene[h]
4.46 (expt.)BCFss[1]2944[e]29511905[*]28843890[*]Carlson et al. 1979; fathead minnow
C16
fluoranthene
5.16 (expt.)BCFss[1]277[e]275646281724EMBSI 2007a, 2007b; rainbow trout
C16
fluoranthene
5.16 (expt.)BCFss[1]17001698128818201621Carlson et al. 1979; fathead minnow
C16
fluoranthene
5.16 (expt.)BMFkinetic0.021[f]n/an/an/an/aEMBSI, 2007b, 2007a, 2008b, 2009 BMF; rainbow trout
C18
chrysene[h]
5.81 (expt.)BCFss[1]153n/an/an/an/aEMBSI 2006b; rainbow trout BCF
C18
chrysene[h]
5.81 (expt.)BMFkinetic0.023[f]1546104719501995EMBSI 2010a, 2010b; rainbow trout BMF
C18
triphenylene[h]
5.49 (expt.)BCFss[1]6162546355JNITE 2010; carp
C18
1-methyl-7-(1-methylethyl)-phenanthrene[h]
6.4BMFkinetic0.03n/an/an/an/aEMBSI 2008a; BMF rainbow trout

Abbreviation: (expt.), experimental log Kow data

[a]BCF and BAF predictions were performed using the Arnot-Gobas mass-balance kinetic model normalizing the metabolic rate constant according to fish weight, lipid content and temperature reported in study or protocol.
[b] Fish weight, lipid content and water temperature used when specified in study. For CITI/NITE tests when conditions not known, fish weight = 30 g, lipid = 4.7%, temperature = 22oC for carp in accordance with MITI BCF test protocol. When more than one study was reported, the geomean of study values was used for model normalization inputs.
[c] Kinetic mass-balance predictions made for middle trophic level fish (W = 184 g, T = 10°C, L = 6.8%) in Arnot-Gobas three trophic level model (Arnot and Gobas 2004).
[d] Calculated using growth rate corrected elimination half-life reported in BCF study.
[e] Geometric mean of reported steady-state values.
[f] Geometric mean of reported kinetic values.
[g] Corrected BAF using dietary assimilation efficiency of 3.2%.
[h] Structures that are included as analogues for the chosen representative structures.
[1] BCF steady state (tissue conc./water conc.).
[*] Predictions generated with metabolism rate equal to zero due to negative predicted metabolism rate constant. Metabolism rate constant deemed erroneous or not applicable given log Kow and BCF result (see kinetic rate constants table).

n/a – not applicable; study details could not be obtained to determine predicted BCFs and BAFs.

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Table A5.9b. Calculated kinetic rate constants for selected representative structures

Alkanes
SubstanceStudy endpointUptake rate constants day-1 (k1)Total elimination rate constant day-1 (kT)[b]Gill elimination rate constant day-1
(k2)
C8
octane[e]
BCFss[1]4060.7420.077
C12
n-dodecane[e]
BCFss[1]15255.000.035
C15
n-pentadecane
BCFss[1]4071.690.000
C15
n-pentadecane
BCFss[1]4071.300.000
C16
n-hexadecane[e]
BCFss[1]4070.2520.000
C16
n-hexadecane[e]
BCFss[1]37919.285.720


Isoalkanes
SubstanceStudy endpointUptake rate constants day-1 (k1)Total elimination rate constant day-1 (kT)[b]Gill elimination rate constant day-1
(k2)
C15
2,6,10-trimethyl-dodecane[e]
BCFss[1]13170.2103[b]
1.139
0.000[c]
0.005
C15
2,6,10-trimethyl-dodecane[e]
BMFkinetic 0.071
0.036[d]
0.000


One-ring cycloalkanes
SubstanceStudy endpointUptake rate constants day-1 (k1)Total elimination rate constant day-1 (kT)[b]Gill elimination rate constant day-1
(k2)
C6
cyclohexane[e]
BCFss[1]3925.0903.031
C7
1-methylcyclohexane[e]
BCFss[1]3972.0812.072
C8
ethylcyclohexane[e]
BCFss[1]4050.2470.238
C14
n-octylcyclohexane[e]
BMFkinetic 0.130
0.095
0.000


Two-ring cycloalkanes
SubstanceStudy endpointUptake rate constants day-1 (k1)Total elimination rate constant day-1 (kT)[b]Gill elimination rate constant day-1
(k2)
C10
trans-decalin[e]
BCFss[1]4040.5190.510
C10
cis-decalin[e]
BCFss[1]4040.5510.542
C13
isopropyldecalin[e] and C16
diisopropyldecalin[e]
BMFkinetic 

0.478

0.136

0.000


Polycycloalkanes
SubstanceStudy endpointUptake rate constants day-1 (k1)Total elimination rate constant day-1 (kT)[b]Gill elimination rate constant day-1
(k2)
C17
isopropylhydro-phenanthrene[e]
BMFkinetic 0.078
0.043
0.000
C18
1-methyl-7-(isopropyl)-hydro-phenanthrene[e]
BMFkinetic 0.071
0.036
0.000
C18
perhydrochrysene[m]
BMFkinetic 0.091
0.056
0.000


One-ring aromatics
SubstanceStudy endpointUptake rate constants day-1 (k1)Total elimination rate constant day-1 (kT)[b]Gill elimination rate constant day-1
(k2)
C9
1,2,3-trimethyl-benzene[e]
BCFss[1]3982.9891.852
C10
1,2-diethylbenzene[e]
BCFss[1]3981.6791.617
C11
1-methyl-4-tertbutyl-benzene[e]
BCFss[1]398398.21.852
C14
n-octylbenzene[e]
BMFkinetic 0.643
0.608
0.000
C16
decylbenzene[e]
BMFkinetic 0.324
0.289
0.000


Cycloalkane
monoaromatics
SubstanceStudy endpointUptake rate constants day-1 (k1)Total elimination rate constant day-1 (kT)[b]Gill elimination rate constant day-1
(k2)
C10
tetralin
BCFss[1]3942.7202.711
C14
octahydro-phenanthrene[e]
BCFss[1]n/an/an/a
C14
octahydro- phenanthrene[e]
BMFkinetic[1] 0.239
0.204
0.000
C18
dodecahydrochrysene[e]
BCFss[1]n/an/an/a
C18
dodecahydrochrysene[e]
BMFkinetic[1] 0.174
0.139
0.000


Two-ring aromatics
SubstanceStudy endpointUptake rate constants day-1 (k1)Total elimination rate constant day-1 (kT)[b]Gill elimination rate constant day-1
(k2)
C10
naphthalene[e]
BCFss[1]3874.1384.129
C11
2-methylnaphthalene[e]

BCFss[1]

BCFkinetic[1]

1089

0.610[d]

0.610

0.607
C12
1,3-dimethylnaphthalene[e]

BCFss[1]

BCFkinetic[1]

2322[d]

1100

0.406[d]

0.406

n/a

0.403

C13
2-isopropyl-naphthalene[e]

BCFss[1]

BCFkinetic[1]

3961[d]

0.120[d]

0.120

n/a

0.551[f]

C14
4-ethylbiphenyl[e]
BCFss[1] 1.1400.480


Cycloalkane diaromatics
SubstanceStudy endpointUptake rate constants day-1 (k1)Total elimination rate constant day-1 (kT)[b]Gill elimination rate constant day-1
(k2)
C12
acenaphthene
BCFss[1]4011.0371.028
C18
hexahydroterphenyl[e]
BCFss[1]n/an/an/a
C18
octahydrochrysene[e]
BMFkinetic 1.424
1.390
0.000
C18
hexahydrochrysene[e]
BMFkinetic 1.424
1.390
0.000


Three and Four-ring aromatics
SubstanceStudy endpointUptake rate constants day-1 (k1)Total elimination rate constant day-1 (kT)[b]Gill elimination rate constant day-1
(k2)
C12
acenaphthylene[e]
BCFss[1]4561.6111.273
C13
fluorene[e]
BCFss[1]6220.9010.892
C13
fluorene[e]
BMFkinetic[1] 0.100 (ke)0.000
C14
phenanthrene[e]
BCFss[1] 9570.8330.821
C16
fluoranthene
BCFss[1]1970.5480.151
C18
chrysene[e]
BCFss[1]n/an/an/a
C18
chrysene[e]
BMFkinetic 0.508[f]0.000
C18
triphenylene[e]
BCFss[1]4063.5120.009
C18 1-methyl-7-(1-methylethyl)-phenanthrene[e]BMFkinetic 1.815
1.78
0.000

Table A5.9b cont. Calculated kinetic rate constants for selected representative structures

Alkanes
SubstanceMetabolic rate constant day-1 (kM)[a]Growth rate constant day-1
(kG)
Fecal egestion rate constant day-1
(kE)[c]
Dietary assimilation efficiency
(α, ED)
Reference; species
C8
octane[e]
0.6570.0010.007 JNITE 2010; carp
C12
n-dodecane[e]
4.950.0020.013 Tolls and van Dijk 2002; fathead minnow
C15
n-pentadecane
1.690.0010.003 CITI 1992; carp
C15
n-pentadecane
1.300.0010.003 JNITE 2010; carp
C16
n-hexadecane[e]
0.2490.0010.002 CITI 1992; carp
C16
n-hexadecane[e]
13.300.0010.008 JNITE 2010; carp

 

Isoalkanes
SubstanceMetabolic rate constant day-1 (kM)[a]Growth rate constant day-1
(kG)
Fecal egestion rate constant day-1
(kE)[c]
Dietary assimilation efficiency
(α, ED)
Reference; species
C15
2,6,10-trimethyl-dodecane[e]
0.158[h]
1.119
0.0425[d]
0.008
0.002
0.005
 EMBSI 2004b, 2005b; rainbow trout
C15
2,6,10-trimethyl-dodecane[e]
0.032[h]0.0350.00428%EMBSI 2004a, 2005a; rainbow trout

 

One-ring cycloalkanes
SubstanceMetabolic rate constant day-1 (kM)[a]Growth rate constant day-1
(kG)
Fecal egestion rate constant day-1
(kE)[c]
Dietary assimilation efficiency
(α, ED)
Reference; species
C6
cyclohexane[e]
2.0500.0010.008 CITI 1992; carp
C7
1-methyl-cyclohexane[e]
-0.4290.0010.008 CITI 1992; carp
C8
ethylcyclohexane[e]
-0.0870.0010.008 CITI 1992; carp
C14
n-octyl-cyclohexane[e]
0.087[h]0.0350.0085%EMBSI 2006a; BMF rainbow trout

 

Two-ring cycloalkanes
SubstanceMetabolic rate constant day-1 (kM)[a]Growth rate constant day-1
(kG)
Fecal egestion rate constant day-1
(kE)[c]
Dietary assimilation efficiency
(α, ED)
Reference; species
C10
trans-decalin[e]
-0.3360.0010.008 CITI 1992; carp
C10
cis-decalin[e]
-0.3900.0010.008 CITI 1992; carp
C13
isopropyldecalin[e] and
C16
diisopropyldecalin[e]
0.128[h]0.0350.0086%EMBSI 2006a; rainbow trout

 

Polycycloalkanes
SubstanceMetabolic rate constant day-1 (kM)[a]Growth rate constant day-1
(kG)
Fecal egestion rate constant day-1
(kE)[c]
Dietary assimilation efficiency
(α, ED)
Reference; species
C17
isopropylhydro- phenanthrene[e]
0.035[h]0.0350.00813%EMBSI 2006b; rainbow trout
C18
1-methyl-7-(isopropyl)-hydro-phenanthrene[e]
0.030[h]0.0350.0069%EMBSI 2008a; rainbow trout
C18
perhydrochrysene[e]
0.048[h]0.0350.00815%EMBSI 2008b; rainbow trout

 

One-ring aromatics
SubstanceMetabolic rate constant day-1 (kM)[a]Growth rate constant day-1
(kG)
Fecal egestion rate constant day-1
(kE)[c]
Dietary assimilation efficiency
(α, ED)
Reference; species
C9
1,2,3-trimethyl-benzene[e]
1.1280.0010.008 CITI 1992; carp
C10
1,2-diethyl-benzene[e]
-0.8540.0010.008 CITI 1992; carp
C11
1-methyl-4-tertbutylbenzene[e]
395.60.0010.008 JNITE 2010; carp
C14
n-octylbenzene[e]
0.600[h]0.0350.00810%EMBSI 2007a, b; BMF rainbow trout and carp
C16
decylbenzene[e]
0.284[h]0.0350.005 EMBSI 2005c; BMF rainbow trout

 

Cycloalkane
monoaromatics
SubstanceMetabolic rate constant day-1 (kM)[a]Growth rate constant day-1
(kG)
Fecal egestion rate constant day-1
(kE)[c]
Dietary assimilation efficiency
(α, ED)
Reference; species
C10
tetralin
-1.0090.0010.008 CITI 1992; carp
C14
octahydro-phenanthrene[e]
n/an/an/an/aEMBSI 2005d; BCF rainbow trout
C14
octahydro-phenanthrene[e]
0.197[h]0.0350.00719%EMBSI 2009; BMF rainbow trout
C18
dodecahydro-chyrsene[e]
n/an/an/an/aEMBSI 2008c; rainbow trout
C18
dodecahydro-chyrsene[e]
0.132[h]0.0350.00718%EMBSI 2008c; rainbow trout

 

Two-ring aromatics
SubstanceMetabolic rate constant day-1 (kM)[a]Growth rate constant day-1
(kG)
Fecal egestion rate constant day-1
(kE)[c]
Dietary assimilation efficiency
(α, ED)
Reference; species
C10
naphthalene[e]
-0.0200.0010.008 JNITE 2010; carp
C11
2-methyl-naphthalene[e]
0.0000.0020.0013.2%[g]Jonsson et al. 2004; sheepshead minnow
C12
1,3-dimethyl-naphthalene[e]

n/a

0.000

n/a

0.002

n/a

0.001

n/a

3.2%[g]

Jonsson et al. 2004 (cited in Lampi et al. 2010); sheepshead minnow
C13
2-isopropyl-naphthalene[e]

n/a

-0.447

n/a

0.002

n/a

0.014

n/a

3.2%[g]

Jonsson et al. 2004; sheepshead minnow
C14
4-ethylbiphenyl[e]
0.6450.0020.013 Yakata et al. 2006; carp

 

Cycloalkane diaromatics
SubstanceMetabolic rate constant day-1 (kM)[a]Growth rate constant day-1
(kG)
Fecal egestion rate constant day-1
(kE)[c]
Dietary assimilation efficiency
(α, ED)
Reference; species
C12
acenaphthene
-0.6320.0010.008 CITI 1992; carp
C18
hexahydro-terphenyl[e]
n/an/an/a EMBSI 2008c; rainbow trout
C18
octahydro-chrysene[e]
1.383[h]0.0340.00755%EMBSI 2010a; BMF rainbow trout
C18
hexahydro-chrysene[e]
1.383[h]0.0340.00749%EMBSI 2010a; BMF rainbow trout

 

Three- and Four-ring aromatics
SubstanceMetabolic rate constant day-1 (kM)[a]Growth rate constant day-1
(kG)
Fecal egestion rate constant day-1
(kE)[c]
Dietary assimilation efficiency
(α, ED)
Reference; species
C12
acenaphthylene[e]
0.3700.0010.010 Yakata et al. 2006; carp
C13
fluorene[e]
-0.3020.0010.012 CITI 1992; Carlson et al. 1979
C13
fluorene[e]
0.098n/a0.00214%Niimi and Palazzo 1986
C14
phenanthrene[e]
-0.5120.0020.012 Carlson et al. 1979; fathead minnow
C16
fluoranthene
0.3830.0020.012 Carlson et al. 1979; fathead minnow
C18
chrysene[e]
n/an/an/an/aEMBSI 2006b, 2009; rainbow trout
C18
chrysene[e]
0.4710.035[f]0.002[c]8%[f]EMBSI 2010a, 2010b; BMF rainbow trout
C18
triphenylene[e]
3.5000.00070.003 JNITE 2010; carp
C18 1-methyl-7-(1-methylethyl)-phenanthrene[e]1.773[h]0.0350.0074%EMBSI 2008a; BMF rainbow trout

[a] Negative values of kM indicate possible kinetic model error, as the estimated rate of metabolism exceeds the total of all other elimination rate constants combined. Observed BCFs may thus not be explained by kinetic modelling of metabolic rate (e.g., steric hindrance, low bioavailability) and could also point to study exposure error. Negative values of kM are not included in the estimate of kT.
[b] kT = (kE + kG).
[c] Calculated using kinetic mass-balance BCF or BAF model based on reported rate kinetics of empirical study and correcting for log Kow, fish body weight, temperature and lipid content of fish from cited study.
[d] As reported in empirical study (geomean used when multiple values reported).
[e] Structures that are included as analogues for the chosen representative structures.
[f] Value adjusted so that predicted kT agrees with observed k2 reported in study.
[g] Based on assimilation efficiency data for 6-n-butyl-2,3-dimethylnaphthalene.
[h] Calculated using kinetic mass-approach when ke is known (Arnot et al. 2008a) and correcting for log Kow, fish body weight, temperature and lipid content of fish from cited study.
[1] BCF steady state (tissue conc./water conc.).
[*] Calculated using mass-balance approach as outlined in Arnot et al. (2008a) when BCF is known and correcting for log Kow, fish body weight, temperature and lipid content of fish from cited study.
[**] kT = (k2 + kM + kE + kG) or when depuration rate constant is known kT = (k2 + kG)

n/a – not applicable; study details could not be obtained to determine predicted BCFs and BAFs.

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Table A5.10. Trophic magnification factors (TMFs)[1] for PAHs in the marine food webs of Bohai Bay, Baltic Sea and Tokyo Bay
CompoundTMF
(Wan et al. 2007)
TMF
(Nfon et al. 2008)
TMF (Takeuchi et al. 2009)
acenaphthylene0.45[*]  
acenaphthene1.02  
benz[a]anthracene0.2[*]0.75[*]0.83
benzo[a]pyrene0.24[*]0.750.80
benzo[e]pyrene0.25[*]0.860.57
benzo[b]fluoranthene  0.60[*]
benzo[b+k]fluoranthene0.27[*]  
benzo[j+k]fluoranthene  0.69[*]
benzo[k]fluoranthene 0.84 
benzo[ghi]perylene0.660.750.72
chrysene0.26[*]0.66[*]0.65[*]
fluoranthene0.11[*]0.72[*]0.60[*]
fluorene1.15  
Indeno[123-cd]pyrene0.810.750.80
dibenz[ah]anthracene0.85  
perylene0.24[*]0.670.77
phenanthrene0.430.82[*]0.75[*]
pyrene0.17[*]0.74[*]0.62[*]
[1] Antilogs of the slopes of the regression equations for the lipid-based PAH concentrations versus d15N were used to calculate the TMFs.
[*] Indicates a significant TMF slope.

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Table A5.11. Proportion (weight %) of bioaccumulative representative structures in three samples of Fuel Oil No. 6 (Fuhr 2008)
Bioaccumulative[*] representative structuresBoiling point (°C)Weight %
Sample A
Weight %
Sample B
Weight %
Sample C
Weight %
Average
Isoalkane C152508.32.83.54.9
Monocycloalkane C152823.421.92.4
Dicycloalkane C152442.91.81.82.2
Polycycloalkane C142552.82.23.22.7
Polycycloalkane C22365
One-ring aromatic C152811.74.22.22.7
Cycloalkane monoaromatic C152851.32.81.61.9
Cycloalkane monoaromatic C20351
Cycloalkane diaromatic C203741.11.62.11.6
Three-ring aromatic C203980.92.33.92.4
Four-ring aromatic C16[a]384–3981.81.93.42.4
Four-ring aromatic C18[a]466
Five-ring aromatic C20[a]480–5090.40.40.20.3
Six-ring aromatic C22[a]greater than 5000.7[b]0.4[b]0.4[b]0.5[b]
Totals 25.322.424.224.0
[*] Determined by results in the modified Arnot-Gobas Three Trophic Level Model (2003) in Table A5.8 as set out by the Persistence and Bioaccumulation Regulations (Canada 2000) with consideration of experimental data.
[a] Structures with empirical BCFs indicating bioconcentration in invertebrates as set out by the Persistence and Bioacccumulation Regulations (Canada 2000).
[b] Assumed to be unidentified aromatics in the samples of Fuel Oil No. 6 (Fuhr 2008).

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Table A5.12. Aquatic toxicity of Fuel Oil No. 6

Fish
Test organismCommon nameType of testEndpointCommentValue (mg/L)Reference
Oncorhynchus kisutchCoho salmon96-hour acuteLC50OWD4800Hebert and Kussat 1972
Oncorhynchus kisutchCoho salmon96-hour acuteLC50OWDgreater than 10 000Hebert and Kussat 1972
Oncorhynchus kisutchCoho salmon96-hour acuteLC50OWD7500Hebert and Kussat 1972
Alosa sapidissmaAmerican shad48-hour acuteLC50Not reported2417Tagatz 1961
Leptocottus armatusStaghorn sculpin96-hour acuteLC50OWD780Hebert and Kussat 1972
Leptocottus armatusStaghorn sculpin96-hour acuteLC50OWD5600Hebert and Kussat 1972
Leptocottus armatusStaghorn sculpin96-hour acuteLC50OWD3400Hebert and Kussat 1972
Salmo salarAtlantic salmon96-hour acuteLC50OWDgreater than 10 000Sprague and Carson 1970
Pseudopleuronectes americanusWinter flounder96-hour acuteLC50OWDgreater than 10 000Sprague and Carson 1970
Fundulus similusLongnose killifish24-hour acuteLC50WSF[*]3.8Anderson et al. 1974
Fundulus similusLongnose killifish48-hour acuteLC50WSF[*]2.27Anderson et al. 1974
Fundulus similusLongnose killifish96-hour acuteLC50WSF[*]1.69Anderson et al. 1974
Menidia menidiaAtlantic silverside96-hour acuteLC50Not reported130Hollister et al. 1980
Cyprinodon variegatusSheepshead minnow96-hour acuteLC50WSF[*]4.7Anderson et al. 1974
Cyprinodon variegatusSheepshead minnow96-hour acuteLC50WSF[*]4.4Anderson et al. 1974
Cyprinodon variegatusSheepshead minnow96-hour acuteLC50WSF[*]3.1Anderson et al. 1974
Menidia beryllinaInland silverside24-hour acuteLC50WSF[*]3.6Anderson et al. 1974
Menidia beryllinaInland silverside48-hour acuteLC50WSF[*]2.7Anderson et al. 1974
Menidia beryllinaInland silverside96-hour acuteLC50WSF[*]1.9Anderson et al. 1974
Lepomis macrochirusBluegill96-hour acuteLL50OWDgreater than 10 000Mobil 1987d


Invertebrates
Test organismCommon nameType of testEndpointCommentValue (mg/L)Reference
Daphnia magnaWater flea48-hour acuteEC50 (immobilization)WSF4.14MacLean and Doe 1989
Daphnia magnaWater flea48-hour acuteLC50WSFgreater than  4.45MacLean and Doe 1989
Daphnia magnaWater flea48-hour acuteEL50OWDgreater than 10 000Mobil 1987e
Artemia salinaBrine shrimp48-hour acuteEC50 (immobilization)WSFgreater than  2.29MacLean and Doe 1989
Artemia salinaBrine shrimp48-hour acuteLC50WSFgreater than  2.29MacLean and Doe 1989
Acartia tonsaCopepod96-hour acuteLC50Not reported5.1Hollister et al. 1980
Paleomonetes pugioGrass shrimp24-hour acuteLD50WSF[*]3.2Anderson et al. 1974
Paleomonetes pugioGrass shrimp48-hour acuteLD50WSF[*]2.8Anderson et al. 1974
Paleomonetes pugioGrass shrimp96-hour acuteLD50WSF[*]2.6Anderson et al. 1974
Paleomonetes pugioGrass shrimp96-hour acuteLC50WSF-1:9, 20-hour mix, serial dilutions, ppm dissolved total HC by IR2.6
3.1
2.2
Tatem et al. 1978
Penaeus aztecus (postlarvae)Brown shrimp24-hour acuteLC50WSF[*]3.8Anderson et al. 1974
Penaeus aztecus (postlarvae)Brown shrimp48-hour acuteLC50WSF[*]3.5Anderson et al. 1974
Penaeus aztecus (postlarvae)Brown shrimp96-hour acuteLC50WSF[*]1.9Anderson et al. 1974
Limulus polyphemusHorseshoe crabs (juvenile)7 dayIncreased mortality
and delayed moult
 2.25Strobel and Brenowitz 1981
Mercenaria mercenariaQuahog clam – embryo48-hour acuteLC50WSF concentration = 25.2 ± 1.7 ppm1.0 (0.7–1.6) ppmByrne and Calder 1977
Mercenaria mercenariaQuahog clam – larvae48-hour acuteLC50WSF concentration = 25.2 ± 1.7 ppm3.2 (2.3–4.5) ppmByrne and Calder 1977
Mercenaria mercenariaQuahog clam – larvae6 dayLC50WSF concentration = 25.2 ± 1.7 ppm1.8 (1.0–2.6) ppmByrne and Calder 1977
Mercenaria mercenariaQuahog clam – larvae10 dayLC50WSF concentration = 25.2 ± 1.7 ppm1.6 (1.1–2.2) ppmByrne and Calder 1977
Mercenaria mercenariaQuahog clam – larvae6 day growth testEC50WSF concentration = 25.2 ± 1.7 ppm1.9 (1.6–2.1) ppmByrne and Calder 1977
Mercenaria mercenariaQuahog clam – larvae10 day growth testEC50WSF concentration = 25.2 ± 1.7 ppm1.0 (0.49–2.04) ppmByrne and Calder 1977
Neanthes arenaceodentataPolychaete marine worm96-hour acuteLC50Not given3.6Neff and Anderson 1981
Neanthes arenaceodentataPolychaete marine worm24-hour acuteLC50WSFgreater than  6.3Rossi et al. 1976
Neanthes arenaceodentataPolychaete marine worm48-hour acuteLC50WSF4.6Rossi et al. 1976
Neanthes arenaceodentataPolychaete marine worm96-hour acuteLC50WSF3.6Rossi et al. 1976
Capitella capitataMarine worm24-hour acuteLC50WSFgreater than  6.3Rossi et al. 1976
Capitella capitataMarine worm48-hour acuteLC50WSF1.1Rossi et al. 1976
Capitella capitataMarine worm96-hour acuteLC50WSF0.9Rossi et al. 1976
Capitella capitataMarine worm96-hour acuteLC50Not Reported0.9Neff and Anderson 1981
Mysidopsis almyraMysid shrimp24-hour acuteLC50WSF6.3Anderson et al. 1974
Mysidopsis almyraMysid shrimp48-hour acuteLC50WSF0.9Anderson et al. 1974


Algae
Test organismCommon nameType of testEndpointCommentValue (mg/L)Reference
Skeletonema costatumDiatom96-hour acuteEC50Not given160Hollister et al. 1980
Pseudokirchneriella subcapitata
(Selenastrum capricornutum)
Green alga96-hour acuteEC50WSF-1:8, 16-hour mix, serial dilutionsNo inhibition – 100% WSF
Stimulation – 0.1% WSF
Giddings et al. 1980
Pseudokirchneriella subcapitata
(Selenastrum capricornutum)
Green alga96-hour acuteEC50Material heated, spread in container, water overlaygreater than 5000Mobil 1987f
Microsystus aeruginosaBlue-green alga96-hour acuteEC50WSF-1:8, 16-hour mix, serial dilutionsNo inhibition – 100% WSF
Stimulation – 0.1% WSF
Giddings et al. 1980
Definitions: LC50: the concentration of a substance that is estimated to be lethal to 50% of the test organisms; EC50: the concentration of a substance that is estimated to cause a defined effect on 50% of the test organisms; WSF: water-soluble fraction; OWD: oil-in-water dispersion
[*] WSF-1:9, 20-hour mix, serial dilutions, LC50 based on ppm dissolved total hydrocarbons by Infrared Spectrophometry.

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Table A5.13. Estimated volume of water in contact with oil for loading/unloading and transport processes of oil via ship for various spill sizes (RMRI 2007)

Volume of water in contact with oil (m3 × 106)
Spill size (barrels)Loading/unloadingTransport
1–49605750
50–9991506250
1000–99993009600
10 000–99 999220017 350
100 000–199 99932 50049 500
greater than 200 00035 00074 100

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Table A5.14. An analysis of modelled persistence and experimental and modelled bioaccumulation data (BCF/BAFs) of petroleum hydrocarbons with respect to the Canadian Persistence and Bioaccumulation Regulations (Canada 2000)[a],[b]
C#C9C10C12C14C15C18C20C22C25C30C50
n-alkane     ******
i-alkane ***B****P*P*
monocycloalkane ***B****P*P*
dicycloalkane ***PBP*PP*P*P*P*
polycycloalkane(-)(-)(-)PBP*PP*PB***
monoaromatic ***B* **P*P*
cycloalkane monoaromatic* **PBPBPBP*P***
diaromatic(-)***PP*P*P*P*P**
cycloalkane diaromatic(-)(-)P  *B****
Three-ring PAH(-)(-)**  PBPPPP
Four-ring PAH(-)(-)(-)(-)(-)PB[c]P****
Five-ring PAH(-)(-)(-)(-)(-)(-)PB[c]P*P*P**
Six-ring PAH(-)(-)(-)(-)(-)(-)(-)PB[c]***
[a] Bioaccumulation potential for carbon number with no experimental data are assumed to be the same as carbon numbers bracketing them. For example, the C15 and C20 cycloalkane monoaromatics were found to bioaccumulative; therefore, the carbon numbers between C15 and C20 for the cycloalkane monoaromatics will also be assumed to be bioaccumulative.
[b] Persistence potential for carbon numbers that were not modelled for persistence are assumed to be the same as carbon numbers bracketing them. For example, the C14 and C18 polycycloalkanes were found to be persistent; therefore, the carbon numbers between C14 and C18 for the polycycloalkanes will also be assumed to be persistent.
[c] Empirical BCFs indicate bioconcentration in invertebrates.
P – Predicted persistence based on data from BioHCWin (2008), BIOWIN (2008), CATABOL (2004–2008) and TOPKAT (2004)
B – Predicted fish BCFs and/or BAFs using the modified Arnot-Gobas three trophic level model (2003) with corrections for metabolism rate (kM) and dietary assimilation efficiency (Ed).
PB – Representative structures that are potentially persistent and bioaccumulative.
Blank cells mean the representative structures are neither persistent nor bioaccumulative.
(-) Indicates that no such carbon numbers exist within the group.
* Not modelled for bioaccumulation as there was no chosen representative structure, or the representative structure was excluded due to a log Kow greater than 8, as model predictions may be highly uncertain for chemicals that have estimated log Kow values greater than 8 (Arnot and Gobas 2003).

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