Appendices of the Draft Screening Assessment Petroleum Sector Stream Approach Aviation Fuels [Fuels] Chemical Abstracts Service Registry Numbers 64741-87-3 64741-86-2 68527-27-5 Environment Canada Health Canada April 2013
- Table A5.1. Experimental aerobic half-lives of hydrocarbons from a formulated gasoline in water (Prince et al. 2007b)
- Table A5.2. Experimental biodegradation values for diesel fuel components in water (Penet et al. 2004)
- Table A5.3. Modelled atmospheric degradation of representative structures for aviation fuels (AOPWIN 2008)
- Table A5.4. Modelled data for primary (BIOHCWIN 2008; BIOWIN4 2009) and ultimate (BIOWIN3,5,6 2009; CATABOL; TOPKAT) degradation of aviation fuels
- Table A5.5. Experimental BAFs for aromatic hydrocarbons
- Table A5.6. Fish BAF and BCF predictions for representative structures of aviation fuels using the modified Arnot-Gobas Three Trophic Level Model (2003a) with corrections for metabolism rate (kM) and dietary assimilation efficiency (Ed)
- Table A5.7a. Experimental BCFs and predicted BCFs and BAFs normalized to BCF study conditions and a middletrophiclevel fish for selected representative structures using a modified version of the Arnot-Gobas BCFBAF model (2003a)
- Table A5.7b. Calculated kinetic rate constants for selected representative structures
- Table A5.8. Trophic magnification factors for PAH in the marine food webs of Bohai Bay, Baltic Sea and Tokyo Bay
Table A5.1. Experimental aerobic half-lives of hydrocarbons from a formulated gasoline in water (Prince et al. 2007b)
| Class / Chemical | Median half-life (days) |
Mean half-life (days) |
|---|---|---|
| Aromatics | ||
| benzene | 3.2 | 4.6 |
| 1-methylethylbenzene | 3.2 | 5.2 |
| 2-ethyl-1,3-dimethylbenzene | 3.2 | 4.9 |
| Two-ring aromatics | ||
| naphthalene | 3.2 | 4.4 |
| n-Alkanes | ||
| butane | 15.0 | 31.8 |
| hexane | 6.5 | 10.2 |
| nonane | 3.2 | 4.4 |
| dodecane | 2.8 | 3.8 |
| Isoalkanes | ||
| 2-methylpropane (isobutane) | 17.1 | 41.7 |
| 2-methylpentane | 10.4 | 16.7 |
| 3-methylpentane | 10.1 | 21.3 |
| 2-methylheptane | 4.8 | 6.0 |
| 4-methylnonane | 3.2 | 4.8 |
| Cycloalkanes | ||
| 1,1,3-trimethylcyclohexane | 8.5 | 14.2 |
| Alkenes | ||
| cis-3-hexene | 6.5 | 8.4 |
| Cycloalkenes | ||
| cyclopentene | 8.1 | 11.5 |
| 4-methylcyclopentene | 8.1 | 12.5 |
Table A5.2. Experimental biodegradation values for diesel fuel components in water (Penet et al. 2004)
| Diesel oil type | Culture type | Degradation endpoints/ units |
Degradation value (%) |
Mineralization value (%) |
|---|---|---|---|---|
| Straight run | Soil, Sludge |
Biodegradation, % (28 days) | 91 ± 1 45 ± 15 |
70 ± 4, 66 ± 13 |
| Hydrocracking | Soil, Sludge |
Biodegradation, % (28 days) | 93 ± 3 61 ± 6 |
67 ±4, 50 ± 11 |
| Supplemented hydrocracking | Soil, Sludge |
Biodegradation, % (28 days) | 90 ± 2 82 ± 4 |
85 ± 12, 58 ± 6 |
| Light cycle | Soil, Sludge |
Biodegradation, % (28 days) | 88 ± 1 75 ± 7 |
70 ± 5, 53 ± 6 |
| Fischer-Tropsch | Soil, Sludge |
Biodegradation, % (28 days) | 95 ± 4 79 ± 4 |
55 ± 8, 66 ± 4 |
| Commercial | Soil, Sludge |
Biodegradation, % (28 days) | 93 ± 2 61 |
54 ± 4, 54 |
Table A5.3. Modelled atmospheric degradation of representative structures for aviation fuels (AOPWIN 2008)
| Substance | Half Life (days) |
|---|---|
| OH• | |
| Alkanes | |
| C9 | 1.1 |
| C12 | 0.8 |
| C15 | 0.59 |
| C17 | 0.51 |
| Isoalkanes | |
| C6 | 1.96 |
| C9 | 1.1 |
| C12 | 0.8 |
| C15 | 0.6 |
| One-ring cycloalkanes | |
| C9 | 0.8 |
| C12 | 0.6 |
| C15 | 0.5 |
| Two-ring cycloalkanes | |
| C9 | 0.8 |
| C15 | 0.4 |
| C20 | 0.3 |
| Polycycloalkanes | |
| C14 | 0.4 |
| One-ring aromatics | |
| C6 | 5.5 (2–20)a |
| C9 | 0.64 |
| C15 | 0.7 |
| Cycloalkane monoaromatics | |
| C9 | 1.3 |
| C12 | 0.8 |
| C15 | 0.5 |
| Two-ring aromatics | |
| C10 | 0.5 |
| C15 | 0.2 |
| Cycloalkane diaromatics | |
| C12 | 0.2 |
| C15 | 0.6 |
| Three-ring aromatics | |
| C15 | 0.3 |
[a] Howard et al. 1991, bracketed values denote the overall range.
Table A5.4. Modelled data for primary (BIOHCWIN 2008; BIOWIN4 2009) and ultimate (BIOWIN3,5,6 2009; CATABOL; TOPKAT) degradation of aviation fuels[a]
| Substance | Primary Degradation | |
|---|---|---|
| BioHCWIN (2008) (half-life in days) |
BIOWIN 4 (2009) Expert Survey[b] |
|
| Alkanes | ||
| C9 n-nonane |
7 | 4.20 |
| C12 n-dodecane |
12 | 4.14 |
| C15 n-pentadecane |
19 | 4.08 |
| C17 n-heptadecane |
25 | 4.04 |
| Isoalkanes | ||
| C6 2-methyl pentane |
4 | 3.72 |
| C9 2,2-dimethylheptane |
8 | 3.93 |
| C12 2,3-dimethyl decane |
12 | 3.87 |
| C15 2-methyl tetradecane |
17 | 3.81 |
| One-ring cycloalkanes | ||
| C9 n-propylcyclohexane |
10 | 3.67 |
| C12 1-methyl-2-pentyl cyclohexane |
9 | 3.87 |
| C15 nonylcyclohexane |
25 | 3.81 |
| Two-ring cycloalkanes | ||
| C9 cis-bicyclo nonane |
56 | 3.67 |
| C15 2-isopenta decylin |
88 | 3.55 |
| C20 2,4-dimethyl octyl-2-decalin |
250 | 3.56 |
| Polycycloalkanes | ||
| C14 hydrophenanthrene |
117 | 3.57 |
| One-ring aromatics | ||
| C6 benzene |
4.6 (5–16)[a] | 3.39 |
| C9 1,2,4-trimethyl benzene |
5 | 3.54 |
| C15 2-nonyl benzene |
14 | 3.76 |
| Cycloalkane monoaromatics | ||
| C9 indan |
3 | 3.54 |
| C12 1,4-dimethyl tetralin |
7 | 3.48 |
| C15 methyl-octahydro-phenanthrene |
466 | 3.42 |
| Two-ring aromatics | ||
| C10 naphthalene |
6 | 3.32 |
| C15 4-isopropyl biphenyl |
8 | 3.50 |
| Cycloalkane diaromatics | ||
| C12 acenaphthene |
19 | 3.49 |
| C15 ethylfluorene |
17 | 3.50 |
| Three-ring PAHs | ||
| C15 2-methyl phenanthrene |
24 | 3.50 |
Table A5.4 cont. Modelled data for primary (BIOHCWIN 2008; BIOWIN4 2009) and ultimate (BIOWIN3,5,6 2009; CATABOL; TOPKAT) degradation of aviation fuels[a]
| Substance | Ultimate degradation | Extrapolated half-life compared with criteria (days)[d] | ||||
|---|---|---|---|---|---|---|
| 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 biodegradability |
||
| Alkanes | ||||||
| C9 n-nonane |
3.51 | 0.68 | 0.87 | 99.95 | 1 | < 182 |
| C12 n-dodecane |
3.42 | 0.70 | 0.87 | 100 | 1 | < 182 |
| C15 n-pentadecane |
3.33 | 0.72 | 0.88 | 99.94 | 1 | < 182 |
| C17 n-heptadecane |
3.26 | 0.74 | 0.89 | 100 | 1 | < 182 |
| Isoalkanes | ||||||
| C6 2-methyl pentane |
0.71 | 0.51 | 0.70 | 16.7 | 1 | < 182 |
| C9 2,3-dimethylheptane |
3.21 | 0.38 | 0.50 | 9.45 | 1 | < 182 |
| C12 2,3-dimethyl decane |
3.12 | 0.40 | 0.52 | 60.2 | 1 | < 182 |
| C15 2-methyltetradecane |
3.03 | 0.57 | 0.75 | 91.11 | 1 | < 182 |
| One-ring cycloalkanes | ||||||
| C9 n-propyl cyclohexane |
2.92 | 0.55 | 0.69 | 3.3 | 1 | < 182 |
| C12 1-methyl-2-pentyl cyclohexane |
3.13 | 0.51 | 0.53 | 4.6 | 1 | < 182 |
| C15 nonylcyclohexane |
3.04 | 0.57 | 0.65 | 57.9 | 1 | < 182 |
| Two-ring cycloalkanes | ||||||
| C9 cis-bicyclo nonane |
2.92 | 0.51 | 0.58 | 0 | 0.001 | < 182 |
| C15 2-isopenta decylin |
2.74 | 0.32 | 0.19 | 1.8 | 0 | ≥ 182 |
| C20 2,4-dimethyl octyl-2-decalin |
2.67 | 0.45 | 0.26 | 4.5 | 0 | ≥ 182 |
| Polycycloalkanes | ||||||
| C14 hydro-phenanthrene |
2.77 | 0.39 | 0.24 | 0 | 0 | ≥ 182 |
| One-ring aromatics | ||||||
| C6 benzene |
2.44 | 0.53 | 0.73 | 7.5 | 1 | < 182 |
| C9 1,2,4-trimethylbenzene |
2.62 | 0.09 | 0.11 | 22.8 | 0.001 | ≥ 182 |
| C15 2-nonyl benzene |
2.99 | 0.44 | 0.53 | 50.9 | 0.11 | < 182 |
| Cycloalkane monoaromatics | ||||||
| C9 indan |
2.79 | 0.30 | 0.40 | 1 | 0.001 | < 182 |
| C12 1,4-dimethyl tetralin |
2.70 | 0.29 | 0.36 | 2.5 | 0.005 | ≥ 182 |
| C15 methyl-octahydro-phenanthrene |
2.61 | 0.19 | 0.13 | 0.91[e] | 0 | ≥ 182 |
| Two-ring aromatics | ||||||
| C10 naphthalene | 2.33 | 0.40 | 0.45 | 3.2 | 0.001 | < 182 |
| C15 4-isopropyl biphenyl |
2.71 | 0.19 | 0.15 | 12.16 | 0 | ≥ 182 |
| Cycloalkane diaromatics | ||||||
| C12 acenaphthene |
2.71 | 0.19 | 0.19 | 3.82 | 0 | ≥ 182 |
| C15 ethylfluorene |
2.70 | 0.15 | 0.10 | 1.03[e] | 0 | ≥ 182 |
| Three-ring PAHs | ||||||
| C15 2-methyl phenanthrene |
2.70 | 0.26 | 0.16 | 21.2[e] | 0.004 | < 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] Based on the modelled primary and ultimate biodegradation results.
[e] Out of domain.
[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] Based on the modelled primary and ultimate biodegradation results.
[e] Out of domain.
| Substance | Reference; Study | Log Kow | BAF[a] Experimental (L/kg) |
|---|---|---|---|
| One-ring aromatics | |||
| C6 Benzene |
Zhou et al. 1997 Atlantic salmon (white muscle); 96 hr. (WSF of crude oil) |
2.13 (expt.) | 4 |
| C7 toluene |
Zhou et al. 1997 Atlantic salmon (white muscle); 96 hr. (WSF of crude oil) |
2.73 (expt.) | 11 |
| C8 ethylbenzene |
Zhou et al. 1997 Atlantic salmon (white muscle); 96 hr. (WSF of crude oil) |
3.15 (expt.) | 26 |
| C8 xylenes |
Zhou et al. 1997 Atlantic salmon (white muscle); 96 hr. (WSF of crude oil) |
3.12 (expt.) | 47 |
| C9 isopropyl benzene |
Zhou et al. 1997 Atlantic salmon (white muscle); 96 hr. (WSF of crude oil) |
3.66 (expt.) | 20 |
| C9 propyl benzene |
Zhou et al. 1997 Atlantic salmon (white muscle); 96 hr. (WSF of crude oil) |
3.69 (expt.) | 36 |
| C9 ethylmethyl benzene |
Zhou et al. 1997 Atlantic salmon (white muscle); 96 hr. (WSF of crude oil) |
3.98 (expt.) | 51 |
| C9 trimethyl benzene |
Zhou et al. 1997 Atlantic salmon (white muscle); 96 hr. (WSF of crude oil) |
3.66 (expt.) | 74 |
| Two-ring aromatics | |||
| C10 naphthalene |
Neff et al. 1976 Clam; 24-hr. (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-hr. (WSF of crude oil) lab study |
3.87 (expt.) | 230 |
| C11 1-methyl naphthalene |
Neff et al. 1976 Clam; 24-hr. (oil-in-water dispersion of No. 2 fuel oil) lab study |
3.87 (expt.) | 8.5 |
| C11 2-methyl naphthalene |
Neff et al. 1976 Clam; 24-hr. (oil-in-water dispersion of No. 2 fuel oil) lab study |
3.86 (expt.) | 8.1 |
| C12 dimethyl naphthalene |
Neff et al. 1976 Clam; 24-hr. (oil-in-water dispersion of No. 2 fuel oil) lab study |
4.31 (expt.) | 17.1 |
| C13 trimethyl naphthalene |
Neff et al. 1976 Clam; 24-hr. (oil-in-water dispersion of No. 2 fuel oil) lab study |
4.81 | 26.7 |
| Three-ring aromatics | |||
| C14 phenanthrene |
Burkhard and Lukasewycz 2000 Lake trout; field study |
4.57 | 87 |
[a] (expt.): experimental data
Table A5.6. Fish BAF and BCF predictions for representative structures of aviation fuels using the modified Arnot-Gobas Three Trophic Level Model (2003a) with corrections for metabolism rate (kM) and dietary assimilation efficiency (Ed)
| Substance | Log Kow | Metabolic Rate Constant for MTL Fish (day-1)[a] |
BCF[b] MTL Fish (L/kg) |
BAF[b] MTL Fish (L/kg) |
|---|---|---|---|---|
| Alkanes | ||||
| C9n-nonane | 5.7 | 0.09 | 1905 | 4074 |
| C12 n-dodecane |
6.1 | 2.2 (expt.) | 126 | 155 |
| C15 n-pentadecane |
7.7 | 0.44[c] | 42 | 550 |
| Isoalkanes | ||||
| C6 2-methyl pentane |
3.2 | 0.5 | 85 | 85 |
| C9 2,2-dimethyl heptane |
4.6 | 0.184 | 2140 | 3000 |
| C12 2,3-dimethyl decane |
6.1 | 1.22[d] | 794 | 1950 |
| C15 2-methyltetradecane |
7.5 | 0.020[e] | 1148 | 181 970 |
| One-ring cycloalkanes | ||||
| C9 n-propyl cyclohexane |
4.56 | 0.16 | 851 | 891 |
| C12 1-methyl-2-pentyl cyclohexane |
6.0 | 0.042 | 3548 | 18 621 |
| Two-ring cycloalkanes | ||||
| C9 cis-bicyclononane |
3.7 | 0.08 | 272 | 280 |
| C15 2-isopentadecalin |
6.3 | 0.04[f] | 3236 | 7244 |
| Polycycloalkanes | ||||
| C14 hydro-phenanthrene |
5.1 | 0.01[g] | 5888 | 8511 |
| One-ring aromatics | ||||
| C6 Benzene |
2.13 (expt.) | 0.2 | 11 | 11 |
| C12 1,2,3-triethyl benzene |
3.7 | 0.2 | 257 | 257 |
| C15 n-nonyl benzene |
7.1 (expt.) | 0.01[h] | 4365 | 151 356 |
| Cycloalkane monoaromatics | ||||
| C9 Indan |
3.18 (expt.) | 0.85 | 71 | 71 |
| C12 1,4-dimethyl tetralin |
4.8 | 0.056 | 1905 | 2239 |
| C15 methyl-octahydro-phenanthrene |
5.6 | 0.13[i] | 2630 | 5445 |
| Two-ring aromatics | ||||
| C10 naphthalene |
3.30 | 0.00 | 138 | 148 |
| C15 4-isopropyl biphenyl |
5.5 (expt.) | 0.65[j] | 871 | 1175 |
| Cycloalkane diaromatics | ||||
| C12 acenaphthene |
3.92 (expt.) | 0.10 | 275 | 380 |
| C15 ethylfluorene |
5.05 | 0.23 | 730 | 809 |
| Three-ring aromatics | ||||
| C15 2-methyl phenanthrene |
4.9 | 0.20 | 789 | 851 |
[a] Metabolic rate constant normalized to middle-trophic-level fish in Arnot-Gobas Three Trophic Level Model (2004) at W=184g, T=10°C, L=6.8%) based on available experimental kinetic BMF or BCF data.
[b] Arnot-Gobas BCF and BAF predictions for middle-trophic-level fish using Three Trophic Level Model (Arnot and Gobas 2003a) using normalized rate constant and correcting for observed or estimated dietary assimilation efficiency reported in Table A5.7a, b (Appendix 5).
[c] Based on rate constant data for C15 n-pentadecane.
[d]Based on calculated metabolic rate constant for n-dodecane.
[e] Based on rate constant for C15 2,6,10-trimethyl dodecane.
[f] Based on rate constant data for isopropyldecalin and diisopropyldecalin.
[g] Based on rate constant data for isopropyl hydrophenanthrene and 1-methyl-7-(isopropyl)-hydrophenanthrene.
[h] Based on rate constant data for octylbenzene and decylbenzene.
[i] Based on rate constant data for octahydrophenanthrene.
[j] Based on rate constant data for ethyl biphenyl.
[*] C17 alkanes and C20 two-ring cycloalkanes all having values of log Kow > 8 were excluded from this comparison, as model predictions may be highly uncertain for chemicals that have estimated log Kow values > 8 (Arnot and Gobas 2003a).
(expt.): experimental log Kow data
[b] Arnot-Gobas BCF and BAF predictions for middle-trophic-level fish using Three Trophic Level Model (Arnot and Gobas 2003a) using normalized rate constant and correcting for observed or estimated dietary assimilation efficiency reported in Table A5.7a, b (Appendix 5).
[c] Based on rate constant data for C15 n-pentadecane.
[d]Based on calculated metabolic rate constant for n-dodecane.
[e] Based on rate constant for C15 2,6,10-trimethyl dodecane.
[f] Based on rate constant data for isopropyldecalin and diisopropyldecalin.
[g] Based on rate constant data for isopropyl hydrophenanthrene and 1-methyl-7-(isopropyl)-hydrophenanthrene.
[h] Based on rate constant data for octylbenzene and decylbenzene.
[i] Based on rate constant data for octahydrophenanthrene.
[j] Based on rate constant data for ethyl biphenyl.
[*] C17 alkanes and C20 two-ring cycloalkanes all having values of log Kow > 8 were excluded from this comparison, as model predictions may be highly uncertain for chemicals that have estimated log Kow values > 8 (Arnot and Gobas 2003a).
(expt.): experimental log Kow data
Table A5.7a. 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 (2003a)
| Substance | Log Kow | Study Endpoint | BCF or BMF Measured |
Predicted BCF[a] | Predicted BAF[a] | Reference; Species | ||
|---|---|---|---|---|---|---|---|---|
| Study Conditions [b] | MTL Fish[c] | Study Conditions[b] | MTL Fish[c] | |||||
| Alkanes | ||||||||
| C8 octaneh |
5.18 (expt.) | BCFss[1] | 530 | 537 | 490 | 560 | 537 | JNITE 2010; carp |
| C12 n-dodecane |
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-hexadecaneh |
8.20 | BCFss[1] | 46 | 47 | 41 | 1778 | 1995 | CITI 1992; carp |
| C16 n-hexadecaneh |
3.15 (expt.) | BCFss[1] | 20 | 20 | 20 | 21 | 21 | JNITE 2010; carp |
| Isoalkanes | ||||||||
| C15 2,6,10-trimethyl dodecaneh |
7.49 | BCFss[1] | 152 | 151 1000[d] |
85 575[d] |
490 16 595[d] |
575 47 863[d] |
EMBSI 2006b; rainbow trout |
| C15 2,6,10-trimethyl dodecaneh |
7.49 | BMFkinetic | 0.97f | n/a | n/a | n/a | n/a | EMBSI 2004a, 2005b; rainbow trout |
| One-ring cycloalkanes | ||||||||
| C6 cyclohexaneh |
3.44 (expt.) | BCFss[1] | 77 | 77 | 89 | 77 | 89 | CITI 1992; carp |
| C7 1-methyl cyclohexaneh |
3.61 (expt.) | BCFss[1] | 240 | 190[*] | 275[*] | 229[*] | 426[*] | CITI 1992; carp |
| C8 ethyl cyclohexaneh |
4.56 (expt.) | BCFss[1] | 2529 | 1622[*] | 2344[*] | 4467[*] | 5495[*] | CITI 1992; carp |
| C14 n-octyl cyclohexaneh | 7.0 | BMFkinetic | 0.06 | n/a | n/a | n/a | n/a | EMBSI 2006a; rainbow trout |
| Two-ring cycloalkanes | ||||||||
| C10 trans-decalinh |
4.20 | BCFss[1] | 2200 | 724[*] | 1072[*] | 1288[*] | 1660[*] | CITI 1992; carp |
| C10 cis-decalinh |
4.20 | BCFss[1] | 2500 | 724[*] | 1072[*] | 1288[*] | 1660[*] | CITI 1992; carp |
| C13 isopropyl decalinh | 5.50 | BMFkinetic | 0.02 | n/a | n/a | n/a | n/a | EMBSI 2006a; rainbow trout |
| C16 diisopropyl decalinh | 6.85 | BMFkinetic | 0.1 | n/a | n/a | n/a | n/a | EMBSI 2008a; rainbow trout |
| Polycycloalkanes | ||||||||
| C17 isopropyl hydro phenanthreneh |
6.5 | BMFkinetic | 0.45 | n/a | n/a | n/a | n/a | EMBSI 2006b; rainbow trout |
| C18 1-methyl-7-(isopropyl)-hydro phenanthreneh |
7.0 | BMFkinetic | 0.35 | n/a | n/a | n/a | n/a | EMBSI 2008a; rainbow trout |
| C18 perhydro chryseneh |
6.0 | BMFkinetic | 0.38 | n/a | n/a | n/a | n/a | EMBSI 2008b; rainbow trout |
| One-ring aromatics | ||||||||
| C9 1,2,3-trimethyl benzeneh |
3.66 (expt.) | BCFss[1] | 133[e] | 135 | 155 | 135 | 155 | CITI 1992; carp |
| C10 1,2-diethyl benzeneh |
3.72 (expt.) | BCFss[1] | 516[e] | 245[*] | 355[*] | 309[*] | 427[*] | CITI 1992; carp |
| C11 1-methyl-4-tert-butyl benzene |
3.66 (expt.) | BCFss[1] | < 1.0 | 214[*] | 309[*] | 263[*] | 263[*] | JNITE 2010; carp |
| C14 n-octyl benzeneh | 6.3 (expt.) | BMFkinetic | 0.02[f] | n/a | n/a | n/a | n/a | EMBSI 2007a, 2007b; rainbow trout and carp |
| C16 decyl benzeneh | 7.4 (expt.) | BMFkinetic | 0.18 | n/a | n/a | n/a | n/a | EMBSI 2005d; rainbow trout |
| Cycloalkane monoaromatics | ||||||||
| C10 tetralinh |
3.49 (expt.) | BCFss[1] | 230 | 145[*] | 214[*] | 166[*] | 562[*] | CITI 1992; carp |
| C14 octahydro- phenanthreneh |
5.9 | BCFss[1] | 3418 | n/a | n/a | n/a | n/a | EMBSI 2005d; rainbow trout |
| C14 octahydro- phenanthreneh |
5.9 | BMFkinetic[1] | 0.13 | n/a | n/a | n/a | n/a | EMBSI 2009; rainbow trout |
| C18 dodecahydro- chryseneh |
6.00 | BCFss[1] | 4588 | n/a | n/a | n/a | n/a | EMBSI 2008c; rainbow trout |
| C18 dodecahydro- chryseneh |
6.00 | BMFkinetic[1] | 0.17 | n/a | n/a | n/a | n/a | EMBSI 2008c; rainbow trout |
| Two-ring aromatics | ||||||||
| C10 naphthalene |
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 naphthaleneh |
3.86 (expt.) | BCFss[1] BCFkinetic[1] |
2886[e] 3930[f] |
2884[*] | n/a | 2884[*] | n/a | Jonsson et al. 2004; sheepshead minnow |
| C12 1,3-dimethyl naphthaleneh |
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 naphthaleneh |
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 biphenylh |
4.80 | BCFss[1] | 839[e] | 832 | 759 | 851 | 813 | Yakata et al. 2006; carp |
| Cycloalkane diaromatics | ||||||||
| C12 acenaphthene |
3.92 (expt.) | BCFss[1] | 991[e] | 389 | 562 | 977 | 741 | CITI 1992; carp |
| C18 hexahydro- terphenylh |
6.44 | BCFss[1] | 1 646 | n/a | n/a | n/a | n/a | EMBSI 2008c; rainbow trout |
| C18 hexahydro- terphenylh |
6.44 | BMFkinetic | 0.06 | n/a | n/a | n/a | n/a | EMBSI 2009; rainbow trout |
| C18 octahydro-chryseneh |
6.0 | BMFkinetic | 0.05 | n/a | n/a | n/a | n/a | EMBSI 2010; rainbow trout |
| C18 hexahydro- chryseneh |
5.8 | BMFkinetic | 0.05 | n/a | n/a | n/a | n/a | EMBSI 2010; rainbow trout |
| Three- and Four-ring aromatics | ||||||||
| C12 acenaphthyleneh |
3.94 (expt.) | BCFss[1] | 275[e] | 275 | 380 | 275 | 380 | Yakata 2006; carp |
| C13 fluoreneh |
4.18 (expt.) | BCFss[1] | 1030[e] | 1023 | 1071 | 1023 | 3311 | CITI 1992; carp Carlson et al. 1979; fathead minnow |
| C14 phenanthreneh |
4.46 (expt.) | BCFss[1] | 2944[e] | 2951 | 1905[*] | 2884 | 3890[*] | Carlson et al. 1979; fathead minnow |
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 = 30g, 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 = 184g, 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.
[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 = 30g, 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 = 184g, 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.
| Substance | Study Endpoint | Uptake Rate Constants day-1 (k1) | Total Elimination Rate Constant day-1 (kT)[b] | Gill Elimination Rate Constant day-1 (k2) |
|---|---|---|---|---|
| Alkanes | ||||
| C8 octanee |
BCFss[1] | 406 | 0.742 | 0.077 |
| C12 n-dodecane |
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-hexadecanee |
BCFss[1] | 407 | 0.252 | 0.000 |
| C16 n-hexadecanee |
BCFss[1] | 379 | 19.28 | 5.720 |
| Isoalkanes | ||||
| C15 2,6,10-trimethyl dodecanee |
BCFss[1] |
1317 |
0.2103[b] 1.139 |
0.000[c] 0.005 |
| C15 2,6,10-trimethyl dodecanee |
BMFkinetic | 0.071 0.036[d] |
0.000 | |
| One-ring cycloalkanes | ||||
| C6 cyclohexanee |
BCFss[1] | 392 | 5.090 | 3.031 |
| C7 1-methyl cyclohexanee |
BCFss[1] | 397 | 2.081 | 2.072 |
| C8 ethyl cyclohexanee |
BCFss[1] | 405 | 0.247 | 0.238 |
| C14 n-octyl cyclohexanee | BMFkinetic | 0.130 0.095 |
0.000 | |
| Two-ring cycloalkanes | ||||
| C10 trans-decaline |
BCFss[1] | 404 | 0.519 | 0.510 |
| C10 cis-decaline |
BCFss[1] | 404 | 0.551 | 0.542 |
| C13 isopropyldecaline and C16 diisopropyldecaline |
BMFkinetic | 0.478 0.136 |
0.000 | |
| Polycycloalkanes | ||||
| C17 isopropyl hydro-phenanthrenee |
BMFkinetic | 0.078 0.043 |
0.000 | |
| C18 1-methyl-7-(isopropyl)-hydro-phenanthrenee |
BMFkinetic | 0.071 0.036 |
0.000 | |
| C18 perhydrochrysenee |
BMFkinetic | 0.091 0.056 |
0.000 | |
| One-ring aromatics | ||||
| C9 1,2,3-trimethyl benzenee |
BCFss[1] | 398 | 2.989 | 1.852 |
| C10 1,2-diethyl benzenee |
BCFss[1] | 398 | 1.679 | 1.617 |
| C11 1-methyl-4-tert-butyl benzenee |
BCFss[1] | 398 | 398.2 | 1.852 |
| C14 n-octyl benzenee | BMFkinetic | 0.643 0.608 |
0.000 | |
| C16 decyl benzenee | BMFkinetic | 0.324 0.289 |
0.000 | |
| Cycloalkane monoaromatics | ||||
| C10 tetraline |
BCFss[1] | 394 | 2.720 | 2.711 |
| C14 octahydro-phenanthrenee |
BCFss[1] | n/a | n/a | n/a |
| C14 octahydro- phenanthrenee |
BMFkinetic[1] | 0.239 0.204 |
0.000 | |
| C18 dodecahydro-chrysenee |
BCFss[1] | n/a | n/a | n/a |
| C18 dodecahydro-chrysenee |
BMFkinetic[1] | 0.174 0.139 |
0.000 | |
| Two-ring aromatics | ||||
| C10 naphthalene |
BCFss[1] | 387 | 4.138 | 4.129 |
| C11 2-methyl naphthalenee |
BCFss[1] BMFkinetic[1] |
1089 |
0.610[d] 0.610 |
0.607 |
| C12 1,3-dimethyl naphthalenee |
BCFss[1] BMFkinetic[1] |
2322[d] 1100 |
0.406[d] 0.406 |
n/a 0.403 |
| C13 2-isopropyl naphthalenee |
BCFss[1] BMFkinetic[1] |
3961[d] | 0.120[d] 0.120 |
n/a 0.551[f] |
| C14 4-ethyl biphenyle |
BCFss[1] | 1.140 | 0.480 | |
| Cycloalkane diaromatics | ||||
| C12 acenaphthene |
BCFss[1] | 401 | 1.037 | 1.028 |
| C18 hexahydro terphenyle |
BCFss[1] | n/a | n/a | n/a |
| C18 octahydro-chrysenee |
BMFkinetic | 1.424 1.390 |
0.000 | |
| C18 hexahydro-chrysenee |
BMFkinetic | 1.424 1.390 |
0.000 | |
| Three- and Four-ring aromatics | ||||
| C12 acenaphthylenee |
BCFss[1] | 456 | 1.611 | 1.273 |
| C13 fluorenee |
BCFss[1] | 622 | 0.901 | 0.892 |
| C13 fluorenee |
BMFkinetic[1] | 0.100 (ke) | 0.000 | |
| C14 phenanthrenee |
BCFss[1] | 957 | 0.833 | 0.821 |
Table A5.7b cont. Calculated kinetic rate constants for selected representative structures
| 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 |
|---|---|---|---|---|---|
| Alkanes | |||||
| C8octanee | 0.657 | 0.001 | 0.007 | JNITE 2010; carp | |
| C12n-dodecane | 4.95 | 0.002 | 0.013 | Tolls and van Dijk 2002; fathead minnow | |
| C15n-pentadecane | 1.69 | 0.001 | 0.003 | CITI 1992; carp | |
| C15n-pentadecane | 1.30 | 0.001 | 0.003 | JNITE 2010; carp | |
| C16n-hexadecanee | 0.249 | 0.001 | 0.002 | CITI 1992; carp | |
| C16n-hexadecanee | 13.30 | 0.001 | 0.008 | JNITE 2010; carp | |
| Isoalkanes | |||||
| C15 2,6,10-trimethyl dodecanee |
0.158[h] 1.119 |
0.0425[d] 0.008 |
0.002 0.005 |
EMBSI 2004b, 2005b; rainbow trout | |
| C15 2,6,10-trimethyl dodecanee |
0.032[h] | 0.035 | 0.004 | 28% | EMBSI, 2004a, 2005a; rainbow trout |
| One-ring cycloalkanes | |||||
| C6 cyclohexanee |
2.050 | 0.001 | 0.008 | CITI 1992; carp | |
| C7 1-methyl cyclohexanee |
-0.429 | 0.001 | 0.008 | CITI 1992; carp | |
| C8 ethyl cyclohexanee |
-0.087 | 0.001 | 0.008 | CITI 1992; carp | |
| C14 n-octyl cyclohexanee |
0.087[h] | 0.035 | 0.008 | 5% | EMBSI 2006a; rainbow trout |
| Two-ring cycloalkanes | |||||
| C10 trans-decaline |
-0.336 | 0.001 | 0.008 | CITI 1992; carp | |
| C10 cis-decaline |
-0.390 | 0.001 | 0.008 | CITI 1992; carp | |
| C13 isopropyl decaline and C16 diisopropyl decaline |
0.128[h] | 0.035 | 0.008 | 6% | EMBSI 2006a; rainbow trout |
| Polycycloalkanes | |||||
| C17 isopropyl hydro phenanthrenee |
0.035[h] | 0.035 | 0.008 | 13% | EMBSI 2006b; rainbow trout |
| C18 1-methyl-7-(isopropyl)-hydro phenanthrenee |
0.030[h] | 0.035 | 0.006 | 9% | EMBSI 2008a; rainbow trout |
| C18 perhydro chrysenee |
0.048[h] | 0.035 | 0.008 | 15% | EMBSI 2008b; rainbow trout |
| One-ring aromatics | |||||
| C9 1,2,3-trimethyl benzenee |
1.128 | 0.001 | 0.008 | CITI 1992; carp | |
| C10 1,2-diethyl benzenee |
-0.854 | 0.001 | 0.008 | CITI 1992; carp | |
| C11 1-methyl-4-tert-butyl benzenee |
395.6 | 0.001 | 0.008 | JNITE 2010; carp | |
| C14 n-octyl benzenee | 0.600[h] | 0.035 | 0.008 | 10% | EMBSI 2007a, 2007b; rainbow trout and carp |
| C16 decyl benzenee | 0.284[h] | 0.035 | 0.005 | EMBSI 2005c; rainbow trout | |
| Cycloalkane monoaromatics | |||||
| C10 tetraline |
-1.009 | 0.001 | 0.008 | CITI 1992; carp | |
| C14 octahydro phenanthrenee |
n/a | n/a | n/a | n/a | EMBSI 2005d; rainbow trout |
| C14 octahydro phenanthrenee |
0.197[h] | 0.035 | 0.007 | 19% | EMBSI 2009; rainbow trout |
| C18 dodecahydro chrysenee |
n/a | n/a | n/a | n/a | EMBSI 2008c; rainbow trout |
| C18 dodecahydro chrysenee |
0.132[h] | 0.035 | 0.007 | 18% | EMBSI 2008c; rainbow trout |
| Two-ring aromatics | |||||
| C10 naphthalene |
-0.020 | 0.001 | 0.008 | JNITE 2010; carp | |
| C11 2-methyl naphthalenee |
0.000 |
0.002 |
0.001 |
3.2%g |
Jonsson et al. 2004; sheepshead minnow |
| C12 1,3-dimethyl naphthalenee |
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 naphthalenee |
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-ethyl biphenyle |
0.645 | 0.002 | 0.013 | Yakata et al. 2006; carp | |
| Cycloalkane diaromatics | |||||
| C12 acenaphthene |
-0.632 | 0.001 | 0.008 | CITI 1992; carp | |
| C18 hexahydro terphenyle |
n/a | n/a | n/a | EMBSI 2008c; rainbow trout | |
| C18 octahydro chrysenee |
1.383[h] | 0.034 | 0.007 | 55% | EMBSI 2010; rainbow trout |
| C18 hexahydro chrysenee |
1.383[h] | 0.034 | 0.007 | 49% | EMBSI 2010; rainbow trout |
| Three- and Four-ring aromatics | |||||
| C12 acenaphthylenee |
0.370 | 0.001 | 0.010 | Yakata 2006; carp | |
| C13 fluorenee |
-0.302 | 0.001 | 0.012 | CITI 1992, Carlson et al. 1979; carp and fathead minnow | |
| C13 fluorenee |
0.098 | n/a | 0.002 | 14% | Niimi and Palazzo 1986; rainbow trout |
| C14 phenanthrenee |
-0.512 | 0.002 | 0.012 | Carlson et al. 1979; fathead minnow | |
[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.
n/a: not applicable; study details could not be obtained to determine predicted BCFs and BAFs.
[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.
n/a: not applicable; study details could not be obtained to determine predicted BCFs and BAFs.
Table A5.8. Trophic magnification factors[a] for PAH 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 | ||
| fluorene | 1.15 | ||
| phenanthrene | 0.43 | 0.82[*] | 0.75[*] |
[a] 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.
[*] Indicates a significant TMF slope.