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
Alkanes Log Kow Metabolic 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)
5.7 0.09 1905 4074
C15
pentadecane
(629-62-9)
7.7 0.44 [c] 42 550
Isoalkanes[*]
Isoalkanes Log Kow Metabolic 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)
4.6 0.184 2140 3000
C15
2-methyltetradecane
(1560-95-8)
7.5 0.020[d] 1148 181 970[q]
One-ring cycloalkanes[*]
One-ring cycloalkanes Log Kow Metabolic 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)
4.4 0.09 966 1000
C15
nonylcyclohexane
(2883-02-5)
7.5 0.023[f] 2630 22 909
Two-ring cycloalkanes[*]
Two-ring cycloalkanes Log Kow Metabolic 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)
3.7 0.08 272 280
C15
2-isopentadecalin
6.3 0.04[h] 3236 7244
Polycycloalkanes[*]
Polycycloalkanes Log Kow Metabolic rate constant
for MTL fish
(day-1)[a]
BCF[b]
MTL fish
(L/kg ww)
BAF[b]
MTL fish
(L/kg ww)
C14
hydrophenanthrene
5.1 0.01[i] 5888 8511
C18
hydrochrysene
6.2 0.45[j] 1023 3548
C22
hydropicene
7.3 0.04[k] 871 31 623
One-ring aromatics[*]
One-ring aromatics Log Kow Metabolic 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)
3.6 0.31 191 191
C15
2-nonylbenzene
(1081-77-2)
7.1 (expt.) 0.01[l] 4365 151 356
Cycloalkane monoaromatics
Cycloalkane monoaromatics Log Kow Metabolic 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.) 0.00 214 562
C15
methyloctahydro-phenanthrene
5.6 0.13[m] 2630 5445
C20
ethyldodecahydro-chyrsene
6.9 0.08[n] 1698 25 119
Two-ring aromatics[*]
Two-ring aromatics Log Kow Metabolic 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] 871 1175
Cyclolkane diaromatics
Cyclolkane diaromatics Log Kow Metabolic 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.) 0.10 275 380
C15
ethylfluorene
5.05 0.23 730 809
C20
isoheptylfluorene
7.4 0.06[p] 501 26 915
Three-ring aromatics[*]
Three-ring aromatics Log Kow Metabolic 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)
4.9 0.20 789 851
C20
2-isohexylphenanthrene
7.2 0.04 1100 60 256
Four-ring aromatics
Four-ring aromatics Log Kow Metabolic 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.) 0.13 516 563
C20
benzo[k]fluoranthene
(207-08-9)
6.1 (expt.) 0.11 393 676
Five-ring aromatics[*]
Five-ring aromatics Log Kow Metabolic 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.) 0.38 500 984
Six-ring aromatics
Six-ring aromatics Log Kow Metabolic 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.) 1.13 91.2 161

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
Alkanes Log Kow Study endpoint BCF 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] 530 537 490 560 537 JNITE 2010; carp
C12
n-dodecane[h]
6.10 (expt.) BCFss[1] 240 240 794 251 1950 Tolls and van Dijk 2002, fathead minnow
C15
n-pentadecane
7.71 BCFss[1] 20 21 18 100 112 CITI 1992; carp
C15
n-pentadecane
7.71 BCFss[1] 26 27 23 162 182 JNITE 2010; carp
C16
n-hexadecane[h]
8.20 BCFss[1] 46 47 41 1778 1995 CITI 1992; carp
C16
n-hexadecane[h]
3.15 (expt.) BCFss[1] 20 20 20 21 21 JNITE 2010; carp
Isoalkanes
Isoalkanes Log Kow Study endpoint BCF 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]
7.49 BCFss[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]
7.49 BMFkinetic 0.97[f] n/a n/a n/a n/a EMBSI 2004a, 2005a; rainbow trout
One-ring cycloalkanes
One-ring cycloalkanes Log Kow Study endpoint BCF 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] 77 77 89 77 89 CITI 1992; carp
C7
1-methyl-cyclohexane[h]
3.61 (expt.) BCFss[1] 240 190[*] 275[*] 229[*] 426[*] CITI 1992; carp
C8
ethyl-cyclohexane[h]
4.56 (expt.) BCFss[1] 2529 1622[*] 2344[*] 4467[*] 5495[*] CITI 1992; carp
C14 n-octyl-cyclohexane 7.0 BMFkinetic 0.06 n/a n/a n/a n/a EMBSI 2006a; BMF rainbow trout
Two-ring cycloalkanes
Two-ring cycloalkanes Log Kow Study endpoint BCF 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]
4.20 BCFss[1] 2200 724[*] 1072[*] 1288[*] 1660[*] CITI 1992; carp
C10
cis-decalin[h]
4.20 BCFss[1] 2500 724[*] 1072[*] 1288[*] 1660[*] CITI 1992; carp
C13 isopropyl-decalin[h] 5.50 BMFkinetic 0.02 n/a n/a n/a n/a EMBSI 2006a; BMF rainbow trout
C16 diisopropyl-decalin[h] 6.85 BMFkinetic 0.1 n/a n/a n/a n/a EMBSI 2008a; BMF rainbow trout
Polycyclo-alkanes
Polycyclo-alkanes Log Kow Study endpoint BCF 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]
6.5 BMFkinetic 0.45 n/a n/a n/a n/a EMBSI 2006b BMF Rainbow Trout
C18
1-methyl-7-(isopropyl)-hydro-phenanthrene[h]
7.0 BMFkinetic 0.35 n/a n/a n/a n/a EMBSI 2008a; BMF rainbow trout
C18
perhydro-chrysene
6.0 BMFkinetic 0.38 n/a n/a n/a n/a EMBSI 2008b; BMF rainbow trout
One-ring aromatics
One-ring aromatics Log Kow Study endpoint BCF 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] 135 155 135 155 CITI 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 1.0 214[*] 309[*] 263[*] 263[*] JNITE 2010; carp
C14 n-octyl-benzene[h] 6.3 (expt.) BMFkinetic 0.02[f] n/a n/a n/a n/a EMBSI 2007a, 2007b; BMF rainbow trout and carp
C16 decyl-benzene[h] 7.4 (expt.) BMFkinetic 0.18 n/a n/a n/a n/a EMBSI 2005c; BMF rainbow trout
Cycloalkane
monoaromatics
Cycloalkane
monoaromatics
Log Kow Study endpoint BCF 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] 230 145[*] 214[*] 166[*] 562[*] CITI 1992; carp
C14
octahydro- phenanthrene[h]
5.9 BCFss[1] 3418 n/a n/a n/a n/a EMBSI 2005d; BCF rainbow trout
C14
octahydro- phenanthrene[h]
5.9 BMFkinetic[1] 0.13 n/a n/a n/a n/a EMBSI 2009; BMF rainbow trout
C18
dodecahydro- chyrsene[h]
6.00 BCFss[1] 4588 n/a n/a n/a n/a EMBSI 2008c; rainbow trout
C18
dodecahydro- chyrsene[h]
6.00 BMFkinetic[1] 0.17 n/a n/a n/a n/a EMBSI 2010a; BMF rainbow trout
Two-ring aromatics
Two-ring aromatics Log Kow Study endpoint BCF 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] 94 95[*] 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/a 2884[*] n/a Jonsson et al. 2004; sheepshead minnow
C12
1,3-dimethyl-naphthalene[h]
4.42 (expt.) BCFss[1]
BCFkinetic[1]
4039[e]
5751[f]
4073 n/a 4073 n/a Jonsson et al. 2004; sheepshead minnow
C13
2-isopropyl-naphthalene
4.63 BCFss[1]
BCFkinetic[1]
12 902[e]
33 321[f]
12 882 n/a 12 882 n/a Jonsson et al. 2004; sheepshead minnow
C14
4-ethyl-biphenyl[h]
4.80 BCFss[1] 839[e] 832 759 851 813 Yakata et al. 2006; carp
Cycloalkane diaromatics
Cycloalkane diaromatics Log Kow Study endpoint BCF 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] 389 562 977 741 CITI 1992; carp
C18
hexahydro- terphenyl[h]
6.44 BCFss[1] 1646 n/a n/a n/a n/a EMBSI 2008c; rainbow trout
C18
hexahydro- terphenyl[h]
6.44 BMFkinetic 0.06 n/a n/a n/a n/a EMBSI 2009; rainbow trout
C18
octahydro-chrysene[h]
6.0 BMFkinetic 0.05 n/a n/a n/a n/a EMBSI 2010a; BMF rainbow trout
C18
hexahydro- chrysene[h]
5.8 BMFkinetic 0.05 n/a n/a n/a n/a EMBSI 2010a; BMF rainbow trout
Three- and Four-ring aromatics
Three- and Four-ring aromatics Log Kow Study endpoint BCF 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] 275 380 275 380 Yakata et al. 2006; carp
C13
fluorene[h]
4.18 (expt.) BCFss[1] 1030[e] 1023 1071 1023 3311 CITI 1992 (carp); Carlson et al. 1979 (fathead minnow)
C14
phenanthrene[h]
4.46 (expt.) BCFss[1] 2944[e] 2951 1905[*] 2884 3890[*] Carlson et al. 1979; fathead minnow
C16
fluoranthene
5.16 (expt.) BCFss[1] 277[e] 275 646 281 724 EMBSI 2007a, 2007b; rainbow trout
C16
fluoranthene
5.16 (expt.) BCFss[1] 1700 1698 1288 1820 1621 Carlson et al. 1979; fathead minnow
C16
fluoranthene
5.16 (expt.) BMFkinetic 0.021[f] n/a n/a n/a n/a EMBSI, 2007b, 2007a, 2008b, 2009 BMF; rainbow trout
C18
chrysene[h]
5.81 (expt.) BCFss[1] 153 n/a n/a n/a n/a EMBSI 2006b; rainbow trout BCF
C18
chrysene[h]
5.81 (expt.) BMFkinetic 0.023[f] 1546 1047 1950 1995 EMBSI 2010a, 2010b; rainbow trout BMF
C18
triphenylene[h]
5.49 (expt.) BCFss[1] 61 62 54 63 55 JNITE 2010; carp
C18
1-methyl-7-(1-methylethyl)-phenanthrene[h]
6.4 BMFkinetic 0.03 n/a n/a n/a n/a EMBSI 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
Substance Study endpoint Uptake 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] 406 0.742 0.077
C12
n-dodecane[e]
BCFss[1] 1525 5.00 0.035
C15
n-pentadecane
BCFss[1] 407 1.69 0.000
C15
n-pentadecane
BCFss[1] 407 1.30 0.000
C16
n-hexadecane[e]
BCFss[1] 407 0.252 0.000
C16
n-hexadecane[e]
BCFss[1] 379 19.28 5.720
Isoalkanes
Substance Study endpoint Uptake 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] 1317 0.2103[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
Substance Study endpoint Uptake 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] 392 5.090 3.031
C7
1-methylcyclohexane[e]
BCFss[1] 397 2.081 2.072
C8
ethylcyclohexane[e]
BCFss[1] 405 0.247 0.238
C14
n-octylcyclohexane[e]
BMFkinetic   0.130
0.095
0.000
Two-ring cycloalkanes
Substance Study endpoint Uptake 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] 404 0.519 0.510
C10
cis-decalin[e]
BCFss[1] 404 0.551 0.542
C13
isopropyldecalin[e] and C16
diisopropyldecalin[e]
BMFkinetic  

0.478

0.136

0.000
Polycycloalkanes
Substance Study endpoint Uptake 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
Substance Study endpoint Uptake 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] 398 2.989 1.852
C10
1,2-diethylbenzene[e]
BCFss[1] 398 1.679 1.617
C11
1-methyl-4-tertbutyl-benzene[e]
BCFss[1] 398 398.2 1.852
C14
n-octylbenzene[e]
BMFkinetic   0.643
0.608
0.000
C16
decylbenzene[e]
BMFkinetic   0.324
0.289
0.000
Cycloalkane
monoaromatics
Substance Study endpoint Uptake rate constants day-1 (k1) Total elimination rate constant day-1 (kT)[b] Gill elimination rate constant day-1
(k2)
C10
tetralin
BCFss[1] 394 2.720 2.711
C14
octahydro-phenanthrene[e]
BCFss[1] n/a n/a n/a
C14
octahydro- phenanthrene[e]
BMFkinetic[1]   0.239
0.204
0.000
C18
dodecahydrochrysene[e]
BCFss[1] n/a n/a n/a
C18
dodecahydrochrysene[e]
BMFkinetic[1]   0.174
0.139
0.000
Two-ring aromatics
Substance Study endpoint Uptake 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] 387 4.138 4.129
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]   1.140 0.480
Cycloalkane diaromatics
Substance Study endpoint Uptake rate constants day-1 (k1) Total elimination rate constant day-1 (kT)[b] Gill elimination rate constant day-1
(k2)
C12
acenaphthene
BCFss[1] 401 1.037 1.028
C18
hexahydroterphenyl[e]
BCFss[1] n/a n/a n/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
Substance Study endpoint Uptake 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] 456 1.611 1.273
C13
fluorene[e]
BCFss[1] 622 0.901 0.892
C13
fluorene[e]
BMFkinetic[1]   0.100 (ke) 0.000
C14
phenanthrene[e]
BCFss[1]  957 0.833 0.821
C16
fluoranthene
BCFss[1] 197 0.548 0.151
C18
chrysene[e]
BCFss[1] n/a n/a n/a
C18
chrysene[e]
BMFkinetic   0.508[f] 0.000
C18
triphenylene[e]
BCFss[1] 406 3.512 0.009
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
Substance Metabolic 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]
0.657 0.001 0.007   JNITE 2010; carp
C12
n-dodecane[e]
4.95 0.002 0.013   Tolls and van Dijk 2002; fathead minnow
C15
n-pentadecane
1.69 0.001 0.003   CITI 1992; carp
C15
n-pentadecane
1.30 0.001 0.003   JNITE 2010; carp
C16
n-hexadecane[e]
0.249 0.001 0.002   CITI 1992; carp
C16
n-hexadecane[e]
13.30 0.001 0.008   JNITE 2010; carp

 

Isoalkanes
Substance Metabolic 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] 0.035 0.004 28% EMBSI 2004a, 2005a; rainbow trout

 

One-ring cycloalkanes
Substance Metabolic 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]
2.050 0.001 0.008   CITI 1992; carp
C7
1-methyl-cyclohexane[e]
-0.429 0.001 0.008   CITI 1992; carp
C8
ethylcyclohexane[e]
-0.087 0.001 0.008   CITI 1992; carp
C14
n-octyl-cyclohexane[e]
0.087[h] 0.035 0.008 5% EMBSI 2006a; BMF rainbow trout

 

Two-ring cycloalkanes
Substance Metabolic 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]
-0.336 0.001 0.008   CITI 1992; carp
C10
cis-decalin[e]
-0.390 0.001 0.008   CITI 1992; carp
C13
isopropyldecalin[e] and
C16
diisopropyldecalin[e]
0.128[h] 0.035 0.008 6% EMBSI 2006a; rainbow trout

 

Polycycloalkanes
Substance Metabolic 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] 0.035 0.008 13% EMBSI 2006b; rainbow trout
C18
1-methyl-7-(isopropyl)-hydro-phenanthrene[e]
0.030[h] 0.035 0.006 9% EMBSI 2008a; rainbow trout
C18
perhydrochrysene[e]
0.048[h] 0.035 0.008 15% EMBSI 2008b; rainbow trout

 

One-ring aromatics
Substance Metabolic 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]
1.128 0.001 0.008   CITI 1992; carp
C10
1,2-diethyl-benzene[e]
-0.854 0.001 0.008   CITI 1992; carp
C11
1-methyl-4-tertbutylbenzene[e]
395.6 0.001 0.008   JNITE 2010; carp
C14
n-octylbenzene[e]
0.600[h] 0.035 0.008 10% EMBSI 2007a, b; BMF rainbow trout and carp
C16
decylbenzene[e]
0.284[h] 0.035 0.005   EMBSI 2005c; BMF rainbow trout

 

Cycloalkane
monoaromatics
Substance Metabolic 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
-1.009 0.001 0.008   CITI 1992; carp
C14
octahydro-phenanthrene[e]
n/a n/a n/a n/a EMBSI 2005d; BCF rainbow trout
C14
octahydro-phenanthrene[e]
0.197[h] 0.035 0.007 19% EMBSI 2009; BMF rainbow trout
C18
dodecahydro-chyrsene[e]
n/a n/a n/a n/a EMBSI 2008c; rainbow trout
C18
dodecahydro-chyrsene[e]
0.132[h] 0.035 0.007 18% EMBSI 2008c; rainbow trout

 

Two-ring aromatics
Substance Metabolic 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]
-0.020 0.001 0.008   JNITE 2010; carp
C11
2-methyl-naphthalene[e]
0.000 0.002 0.001 3.2%[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]
0.645 0.002 0.013   Yakata et al. 2006; carp

 

Cycloalkane diaromatics
Substance Metabolic 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
-0.632 0.001 0.008   CITI 1992; carp
C18
hexahydro-terphenyl[e]
n/a n/a n/a   EMBSI 2008c; rainbow trout
C18
octahydro-chrysene[e]
1.383[h] 0.034 0.007 55% EMBSI 2010a; BMF rainbow trout
C18
hexahydro-chrysene[e]
1.383[h] 0.034 0.007 49% EMBSI 2010a; BMF rainbow trout

 

Three- and Four-ring aromatics
Substance Metabolic 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]
0.370 0.001 0.010   Yakata et al. 2006; carp
C13
fluorene[e]
-0.302 0.001 0.012   CITI 1992; Carlson et al. 1979
C13
fluorene[e]
0.098 n/a 0.002 14% Niimi and Palazzo 1986
C14
phenanthrene[e]
-0.512 0.002 0.012   Carlson et al. 1979; fathead minnow
C16
fluoranthene
0.383 0.002 0.012   Carlson et al. 1979; fathead minnow
C18
chrysene[e]
n/a n/a n/a n/a EMBSI 2006b, 2009; rainbow trout
C18
chrysene[e]
0.471 0.035[f] 0.002[c] 8%[f] EMBSI 2010a, 2010b; BMF rainbow trout
C18
triphenylene[e]
3.500 0.0007 0.003   JNITE 2010; carp
C18 1-methyl-7-(1-methylethyl)-phenanthrene[e] 1.773[h] 0.035 0.007 4% 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
Compound TMF
(Wan et al. 2007)
TMF
(Nfon et al. 2008)
TMF (Takeuchi et al. 2009)
acenaphthylene 0.45[*]    
acenaphthene 1.02    
benz[a]anthracene 0.2[*] 0.75[*] 0.83
benzo[a]pyrene 0.24[*] 0.75 0.80
benzo[e]pyrene 0.25[*] 0.86 0.57
benzo[b]fluoranthene     0.60[*]
benzo[b+k]fluoranthene 0.27[*]    
benzo[j+k]fluoranthene     0.69[*]
benzo[k]fluoranthene   0.84  
benzo[ghi]perylene 0.66 0.75 0.72
chrysene 0.26[*] 0.66[*] 0.65[*]
fluoranthene 0.11[*] 0.72[*] 0.60[*]
fluorene 1.15    
Indeno[123-cd]pyrene 0.81 0.75 0.80
dibenz[ah]anthracene 0.85    
perylene 0.24[*] 0.67 0.77
phenanthrene 0.43 0.82[*] 0.75[*]
pyrene 0.17[*] 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 structures Boiling point (°C) Weight %
Sample A
Weight %
Sample B
Weight %
Sample C
Weight %
Average
Isoalkane C15 250 8.3 2.8 3.5 4.9
Monocycloalkane C15 282 3.4 2 1.9 2.4
Dicycloalkane C15 244 2.9 1.8 1.8 2.2
Polycycloalkane C14 255 2.8 2.2 3.2 2.7
Polycycloalkane C22 365
One-ring aromatic C15 281 1.7 4.2 2.2 2.7
Cycloalkane monoaromatic C15 285 1.3 2.8 1.6 1.9
Cycloalkane monoaromatic C20 351
Cycloalkane diaromatic C20 374 1.1 1.6 2.1 1.6
Three-ring aromatic C20 398 0.9 2.3 3.9 2.4
Four-ring aromatic C16[a] 384–398 1.8 1.9 3.4 2.4
Four-ring aromatic C18[a] 466
Five-ring aromatic C20[a] 480–509 0.4 0.4 0.2 0.3
Six-ring aromatic C22[a] greater than 500 0.7[b] 0.4[b] 0.4[b] 0.5[b]
Totals   25.3 22.4 24.2 24.0
[*] 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 organism Common name Type of test Endpoint Comment Value (mg/L) Reference
Oncorhynchus kisutch Coho salmon 96-hour acute LC50 OWD 4800 Hebert and Kussat 1972
Oncorhynchus kisutch Coho salmon 96-hour acute LC50 OWD greater than 10 000 Hebert and Kussat 1972
Oncorhynchus kisutch Coho salmon 96-hour acute LC50 OWD 7500 Hebert and Kussat 1972
Alosa sapidissma American shad 48-hour acute LC50 Not reported 2417 Tagatz 1961
Leptocottus armatus Staghorn sculpin 96-hour acute LC50 OWD 780 Hebert and Kussat 1972
Leptocottus armatus Staghorn sculpin 96-hour acute LC50 OWD 5600 Hebert and Kussat 1972
Leptocottus armatus Staghorn sculpin 96-hour acute LC50 OWD 3400 Hebert and Kussat 1972
Salmo salar Atlantic salmon 96-hour acute LC50 OWD greater than 10 000 Sprague and Carson 1970
Pseudopleuronectes americanus Winter flounder 96-hour acute LC50 OWD greater than 10 000 Sprague and Carson 1970
Fundulus similus Longnose killifish 24-hour acute LC50 WSF[*] 3.8 Anderson et al. 1974
Fundulus similus Longnose killifish 48-hour acute LC50 WSF[*] 2.27 Anderson et al. 1974
Fundulus similus Longnose killifish 96-hour acute LC50 WSF[*] 1.69 Anderson et al. 1974
Menidia menidia Atlantic silverside 96-hour acute LC50 Not reported 130 Hollister et al. 1980
Cyprinodon variegatus Sheepshead minnow 96-hour acute LC50 WSF[*] 4.7 Anderson et al. 1974
Cyprinodon variegatus Sheepshead minnow 96-hour acute LC50 WSF[*] 4.4 Anderson et al. 1974
Cyprinodon variegatus Sheepshead minnow 96-hour acute LC50 WSF[*] 3.1 Anderson et al. 1974
Menidia beryllina Inland silverside 24-hour acute LC50 WSF[*] 3.6 Anderson et al. 1974
Menidia beryllina Inland silverside 48-hour acute LC50 WSF[*] 2.7 Anderson et al. 1974
Menidia beryllina Inland silverside 96-hour acute LC50 WSF[*] 1.9 Anderson et al. 1974
Lepomis macrochirus Bluegill 96-hour acute LL50 OWD greater than 10 000 Mobil 1987d
Invertebrates
Test organism Common name Type of test Endpoint Comment Value (mg/L) Reference
Daphnia magna Water flea 48-hour acute EC50 (immobilization) WSF 4.14 MacLean and Doe 1989
Daphnia magna Water flea 48-hour acute LC50 WSF greater than  4.45 MacLean and Doe 1989
Daphnia magna Water flea 48-hour acute EL50 OWD greater than 10 000 Mobil 1987e
Artemia salina Brine shrimp 48-hour acute EC50 (immobilization) WSF greater than  2.29 MacLean and Doe 1989
Artemia salina Brine shrimp 48-hour acute LC50 WSF greater than  2.29 MacLean and Doe 1989
Acartia tonsa Copepod 96-hour acute LC50 Not reported 5.1 Hollister et al. 1980
Paleomonetes pugio Grass shrimp 24-hour acute LD50 WSF[*] 3.2 Anderson et al. 1974
Paleomonetes pugio Grass shrimp 48-hour acute LD50 WSF[*] 2.8 Anderson et al. 1974
Paleomonetes pugio Grass shrimp 96-hour acute LD50 WSF[*] 2.6 Anderson et al. 1974
Paleomonetes pugio Grass shrimp 96-hour acute LC50 WSF-1:9, 20-hour mix, serial dilutions, ppm dissolved total HC by IR 2.6
3.1
2.2
Tatem et al. 1978
Penaeus aztecus (postlarvae) Brown shrimp 24-hour acute LC50 WSF[*] 3.8 Anderson et al. 1974
Penaeus aztecus (postlarvae) Brown shrimp 48-hour acute LC50 WSF[*] 3.5 Anderson et al. 1974
Penaeus aztecus (postlarvae) Brown shrimp 96-hour acute LC50 WSF[*] 1.9 Anderson et al. 1974
Limulus polyphemus Horseshoe crabs (juvenile) 7 day Increased mortality
and delayed moult
  2.25 Strobel and Brenowitz 1981
Mercenaria mercenaria Quahog clam – embryo 48-hour acute LC50 WSF concentration = 25.2 ± 1.7 ppm 1.0 (0.7–1.6) ppm Byrne and Calder 1977
Mercenaria mercenaria Quahog clam – larvae 48-hour acute LC50 WSF concentration = 25.2 ± 1.7 ppm 3.2 (2.3–4.5) ppm Byrne and Calder 1977
Mercenaria mercenaria Quahog clam – larvae 6 day LC50 WSF concentration = 25.2 ± 1.7 ppm 1.8 (1.0–2.6) ppm Byrne and Calder 1977
Mercenaria mercenaria Quahog clam – larvae 10 day LC50 WSF concentration = 25.2 ± 1.7 ppm 1.6 (1.1–2.2) ppm Byrne and Calder 1977
Mercenaria mercenaria Quahog clam – larvae 6 day growth test EC50 WSF concentration = 25.2 ± 1.7 ppm 1.9 (1.6–2.1) ppm Byrne and Calder 1977
Mercenaria mercenaria Quahog clam – larvae 10 day growth test EC50 WSF concentration = 25.2 ± 1.7 ppm 1.0 (0.49–2.04) ppm Byrne and Calder 1977
Neanthes arenaceodentata Polychaete marine worm 96-hour acute LC50 Not given 3.6 Neff and Anderson 1981
Neanthes arenaceodentata Polychaete marine worm 24-hour acute LC50 WSF greater than  6.3 Rossi et al. 1976
Neanthes arenaceodentata Polychaete marine worm 48-hour acute LC50 WSF 4.6 Rossi et al. 1976
Neanthes arenaceodentata Polychaete marine worm 96-hour acute LC50 WSF 3.6 Rossi et al. 1976
Capitella capitata Marine worm 24-hour acute LC50 WSF greater than  6.3 Rossi et al. 1976
Capitella capitata Marine worm 48-hour acute LC50 WSF 1.1 Rossi et al. 1976
Capitella capitata Marine worm 96-hour acute LC50 WSF 0.9 Rossi et al. 1976
Capitella capitata Marine worm 96-hour acute LC50 Not Reported 0.9 Neff and Anderson 1981
Mysidopsis almyra Mysid shrimp 24-hour acute LC50 WSF 6.3 Anderson et al. 1974
Mysidopsis almyra Mysid shrimp 48-hour acute LC50 WSF 0.9 Anderson et al. 1974
Algae
Test organism Common name Type of test Endpoint Comment Value (mg/L) Reference
Skeletonema costatum Diatom 96-hour acute EC50 Not given 160 Hollister et al. 1980
Pseudokirchneriella subcapitata
(Selenastrum capricornutum)
Green alga 96-hour acute EC50 WSF-1:8, 16-hour mix, serial dilutions No inhibition – 100% WSF
Stimulation – 0.1% WSF
Giddings et al. 1980
Pseudokirchneriella subcapitata
(Selenastrum capricornutum)
Green alga 96-hour acute EC50 Material heated, spread in container, water overlay greater than 5000 Mobil 1987f
Microsystus aeruginosa Blue-green alga 96-hour acute EC50 WSF-1:8, 16-hour mix, serial dilutions No inhibition – 100% WSF
Stimulation – 0.1% WSF
Giddings et al. 1980
Definitions: LC 50 : the concentration of a substance that is estimated to be lethal to 50% of the test organisms; EC 50 : 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, LC 50 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/unloading Transport
1–49 60 5750
50–999 150 6250
1000–9999 300 9600
10 000–99 999 2200 17 350
100 000–199 999 32 500 49 500
greater than 200 000 35 000 74 100

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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# C9 C10 C12 C14 C15 C18 C20 C22 C25 C30 C50
n-alkane           * * * * * *
i-alkane   * * * B * * * * P* P*
monocycloalkane   * * * B * * * * P* P*
dicycloalkane   * * * PB P* P P* P* P* P*
polycycloalkane (-) (-) (-) PB P* P P* PB * * *
monoaromatic   * * * B *   * * P* P*
cycloalkane monoaromatic *   * * PB PB PB P* P* * *
diaromatic (-) * * * P P* P* P* P* P* *
cycloalkane diaromatic (-) (-) P     * B * * * *
Three-ring PAH (-) (-) * *     PB P P P P
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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