Appendices of the Final Screening Assessment

Petroleum Sector Stream Approach
Gas Oils
[Industry-Restricted]

Chemical Abstracts Service Registry Numbers
64741-59-9
64741-82-8

Environment Canada
Health Canada
July 2013

Back to the Final Screening Assessment

Appendices

Back to the Appendices 1 to 4
Appendix 5: Modelling results for environmental properties of industry restricted gas oils
Go to the Appendices 6 and 7

Appendix 5: Modelling results for environmental properties of industry restricted gas oils

Table A5.1. Results of Level III fugacity modelling of representative gas oil hydrocarbons (EQC 2003)

**n -Alkanes**
Compartment of release (100%)	Percentage (%) of substance partitioning into each compartment
C₁₀	Air	Water	Soil	Sediment
Air	99.5	0.02	0.5	0.02
Water	1.5	48.0	0.0	50.5
Soil	0.1	0.0	99.9	0.0

**n -Alkanes**
Compartment of release (100%)	Percentage (%) of substance partitioning into each compartment
C₁₅	Air	Water	Soil	Sediment
Air	98.4	0.01	1.5	0.1
Water	0.01	8.7	0.0	91.3
Soil	0.1	0.0	99.9	0.02

**n -Alkanes**
Compartment of release (100%)	Percentage (%) of substance partitioning into each compartment
C₂₀	Air	Water	Soil	Sediment
Air	16.0	1.3	61.3	21.5
Water	0.0	5.5	0.0	94.5
Soil	0.0	0.0	99.9	0.03

**Isoalkanes**
Compartment of release (100%)	Percentage (%) of substance partitioning into each compartment
C₁₀	Air	Water	Soil	Sediment
Air	99.8	0.0	0.2	0.0
Water	3.3	85.7	0.0	11.0
Soil	6.2	0.0	93.7	0.0

**Isoalkanes**
Compartment of release (100%)	Percentage (%) of substance partitioning into each compartment
C₁₅	Air	Water	Soil	Sediment
Air	99.0	0.0	1.0	0.01
Water	0.01	9.6	0.0	90.4
Soil	0.04	0.0	99.9	0.01

**Isoalkanes**
Compartment of release (100%)	Percentage (%) of substance partitioning into each compartment
C₂₀	Air	Water	Soil	Sediment
Air	94.0	0.05	5.1	0.9
Water	0.0	5.0	0.0	95.0
Soil	0.0	0.0	99.9	0.03

**One-ring cycloalkanes**
Compartment of release (100%)	Percentage (%) of substance partitioning into each compartment
C₁₀	Air	Water	Soil	Sediment
Air	99.8	0.0	0.2	0.0
Water	2.8	93.4	0.0	3.8
Soil	3.2	0.0	96.8	0.0

**One-ring cycloalkanes**
Compartment of release (100%)	Percentage (%) of substance partitioning into each compartment
C₁₅	Air	Water	Soil	Sediment
Air	97.3	0.03	2.3	0.4
Water	0.01	7.0	0.0	93.0
Soil	0.0	0.0	99.9	0.02

**Two-ring cycloalkanes**
Compartment of release (100%)	Percentage (%) of substance partitioning into each compartment
C₉	Air	Water	Soil	Sediment
Air	99.0	0.1	0.8	0.0
Water	4.7	87.0	0.0	8.3
Soil	3.4	0.1	96.5	0.0

**Two-ring cycloalkanes**
Compartment of release (100%)	Percentage (%) of substance partitioning into each compartment
C₁₅	Air	Water	Soil	Sediment
Air	96.8	0.0	3.0	0.1
Water	0.05	6.0	0.0	94
Soil	0.06	0.0	99.9	0.04

**Two-ring cycloalkanes**
Compartment of release (100%)	Percentage (%) of substance partitioning into each compartment
C₂₀	Air	Water	Soil	Sediment
Air	15.8	0.8	25.4	58.1
Water	0.0	1.3	0.0	98.7
Soil	0.0	0.0	99.8	0.2

**Polycycloalkanes**
Compartment of release (100%)	Percentage (%) of substance partitioning into each compartment
C₁₄	Air	Water	Soil	Sediment
Air	93.1	0.2	6.0	0.8
Water	0.2	18.1	0.02	81.6
Soil	0.03	0.0	99.9	0.03

**Polycycloalkanes**
Compartment of release (100%)	Percentage (%) of substance partitioning into each compartment
C₁₈	Air	Water	Soil	Sediment
Air	7.7	0.6	60.4	31.2
Water	0.0	2.0	0.05	97.9
Soil	0.0	0.0	99.8	0.2

**Polycycloalkanes**
Compartment of release (100%)	Percentage (%) of substance partitioning into each compartment
C₂₂	Air	Water	Soil	Sediment
Air	3.0	0.05	91.8	5.2
Water	0.0	1.0	0.02	99.0
Soil	0.0	0.0	99.7	0.3

**One-ring aromatics**
Compartment of release (100%)	Percentage (%) of substance partitioning into each compartment
C₉	Air	Water	Soil	Sediment
Air	99.4	0.3	0.3	0.0
Water	4.4	94.6	0.01	0.9
Soil	1.0	0.08	98.9	0.0

**One-ring aromatics**
Compartment of release (100%)	Percentage (%) of substance partitioning into each compartment
C₁₅	Air	Water	Soil	Sediment
Air	98.4	0.05	1.1	0.4
Water	0.03	11.5	0	88.5
Soil	0.0	0.0	100	0.01

**One-ring aromatics**
Compartment of release (100%)	Percentage (%) of substance partitioning into each compartment
C₂₀	Air	Water	Soil	Sediment
Air	92.1	0.1	0.0	1.5
Water	0.0	7.8	0.0	92.2
Soil	0.0	0.0	100	0.02

**Cycloalkane monoaromatics**
Compartment of release (100%)	Percentage (%) of substance partitioning into each compartment
C₁₀	Air	Water	Soil	Sediment
Air	99.8	0.2	0.05	0.0
Water	2.02	97.8	0.0	0.1
Soil	0.2	0.02	99.8	0.0

**Cycloalkane monoaromatics**
Compartment of release (100%)	Percentage (%) of substance partitioning into each compartment
C₁₅	Air	Water	Soil	Sediment
Air	81.4	1.7	1.5	15.4
Water	0.2	9.7	0.0	90.0
Soil	0.0	0.0	100	0.04

**Cycloalkane monoaromatics**
Compartment of release (100%)	Percentage (%) of substance partitioning into each compartment
C₂₀	Air	Water	Soil	Sediment
Air	24.7	0.9	24.3	50
Water	0.01	1.8	0.01	98.2
Soil	0.0	0.0	99.9	0.1

**Two-ring aromatics**
Compartment of release (100%)	Percentage (%) of substance partitioning into each compartment
C₁₀	Air	Water	Soil	Sediment
Air	97.4	2.2	0.4	0.02
Water	1.3	98.0	0.8	0
Soil	0.08	0.2	99.8	0

**Two-ring aromatics**
Compartment of release (100%)	Percentage (%) of substance partitioning into each compartment
C₁₅	Air	Water	Soil	Sediment
Air	89.9	4	1.3	4.8
Water	0.1	45.6	0.0	54.3
Soil	0.0	0.0	100	0.0

**Cycloalkane diaromatics**
Compartment of release (100%)	Percentage (%) of substance partitioning into each compartment
C₁₂	Air	Water	Soil	Sediment
Air	91.6	6.7	1.4	0.4
Water	0.4	94.1	0.01	5.5
Soil	0.0	0.04	100	0.0

**Cycloalkane diaromatics**
Compartment of release (100%)	Percentage (%) of substance partitioning into each compartment
C₁₅	Air	Water	Soil	Sediment
Air	92.6	4.2	1.7	1.5
Water	1.5	72.6	0.03	25.9
Soil	0.0	0.0	100	0.0

**Cycloalkane diaromatics**
Compartment of release (100%)	Percentage (%) of substance partitioning into each compartment
C₂₀	Air	Water	Soil	Sediment
Air	94.1	0.6	4.6	0.7
Water	0.1	44.8	0.0	55.1
Soil	0.0	0.0	100	0.0

**Three-ring aromatics**
Compartment of release (100%)	Percentage (%) of substance partitioning into each compartment
C₁₅	Air	Water	Soil	Sediment
Air	68.5	9.7	11.6	10.2
Water	0.1	48.7	0.02	51.2
Soil	0.0	0.01	99.98	0.01

**Four-ring aromatics**
Compartment of release (100%)	Percentage (%) of substance partitioning into each compartment
C₁₆	Air	Water	Soil	Sediment
Air	13.1	4.7	58.1	24.1
Water	0.0	16.2	0.04	83.7
Soil	0.0	0.0	99.9	0.1

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Table A 5.2. Modelled data for primary (BioHCWin 2008; BIOWIN4 2009) and ultimate (BIOWIN3,5,6 2009; CATABOL, TOPKAT) degradation of gas oils components

**Alkanes**
	Primary Biodegradation BioHCWin (2008)^[a](days)	Primary Biodegradation BIOWIN 4 (2009) Expert Survey^[b]
C₁₀ decane	8.6	4.18
C₁₅ pentadecane	19	4.08
C₂₀ eicosane	40	3.98

**Isoalkanes**
	Primary Biodegradation BioHCWin (2008)^[a](days)	Primary Biodegradation BIOWIN 4 (2009) Expert Survey^[b]
C₁₀ 4-methylnonane	7.7	3.91
C₁₅ 2-methyltetradecane	17	3.81
C₂₀ 3-methylnonadecane	36	3.71

**One-ring cycloalkanes**
	Primary Biodegradation BioHCWin (2008)^[a](days)	Primary Biodegradation BIOWIN 4 (2009) Expert Survey^[a]
C₁₀ butylcyclohexane	11.6	3.91
C₁₅ nonylcyclohexane	25	3.81

**Two-ring cycloalkanes**
	Primary Biodegradation BioHCWin (2008)^[a](days)	Primary Biodegradation BIOWIN 4 (2009) Expert Survey^[b]
C₉ cis-bicyclononane	56	3.67
C₁₅ 2-isopentadecylin	88	3.55
C₂₀ 2,4-dimethyloctyl-2-decalin	250	3.56

**Polycycloalkanes**
	Primary Biodegradation BioHCWin (2008)^[a](days)	Primary Biodegradation BIOWIN 4 (2009) Expert Survey^[b]
C₁₄ hydrophenanthrene	117	3.57
C₁₈ hydrochrysene	678	3.49
C₂₂ hydropicene	4416	3.41

**One-ring aromatics**
	Primary Biodegradation BioHCWin (2008)^[a](days)	Primary Biodegradation BIOWIN 4 (2009) Expert Survey^[b]
C₉ ethylmethylbenzene	4.9	3.54
C₁₅ 2-nonylbenzene	14	3.76
C₂₀ tetradecylbenzene	31	3.66

**Cycloalkane monoaromatics**
	Primary Biodegradation BioHCWin (2008)^[a](days)	Primary Biodegradation BIOWIN 4 (2009) Expert Survey^[b]
C₁₀ tetralin	1.5	3.52
C₁₅ methyloctahydro-phenanthrene	466	3.42
C₂₀ ethyldodecahydro-chyrsene	469	3.32

**Two-ring aromatics**
	Primary Biodegradation BioHCWin (2008)^[a](days)	Primary Biodegradation BIOWIN 4 (2009) Expert Survey^[b]
C₁₀ naphthalene	5.6	3.32
C₁₅ 4-isopropylbiphenyl	72.6	3.50

**Cycloalkane diaromatics**
	Primary Biodegradation BioHCWin (2008)^[a](days)	Primary Biodegradation BIOWIN 4 (2009) Expert Survey^[b]
C₁₂ acenaphthene	18.8	3.49
C₁₅ ethylfluorene	16.5	3.50
C₂₀ isoheptylfluorene	40.9	3.33

**Three-ring PAHs**
	Primary Biodegradation BioHCWin (2008)^[a](days)	Primary Biodegradation BIOWIN 4 (2009) Expert Survey^[b]
C₁₅ 2-methylphenanthrene	24	3.50

**Four-ring PAHs**
	Primary Biodegradation BioHCWin (2008)^[a](days)	Primary Biodegradation BIOWIN 4 (2009) Expert Survey^[b]
C₁₆ fluoranthene	191	2.85

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Table A 5.2 cont. Modelled data for primary (BioHCWin 2008; BIOWIN4 2009) and ultimate (BIOWIN3,5,6 2009; CATABOL, TOPKAT) biodegradation of gas oil components

**Alkanes**
**Ultimate Biodegradation**
	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	Extrapolated half-life compared with criteria (days)
C₁₀ decane	3.48	0.69	0.87	100	1	less than 182
C₁₅ pentadecane	3.33	0.72	0.88	99.94	1	less than 182
C₂₀ eicosane	3.17	0.76	0.89	89	1	less than 182

**Isoalkanes**
**Ultimate Biodegradation**
	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	Extrapolated half-life compared with criteria (days)
C₁₀ 4-methylnonane	3.18	0.54	0.72	15.6	1	less than 182
C₁₅ 2-methyltetra-decane	3.03	0.57	0.75	91.11	1	less than 182
C₂₀ 3-methyl-nonadecane	2.87	0.61	0.77	97.9	1	less than 182

**One-ring cycloalkanes**
**Ultimate Biodegradation**
	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	Extrapolated half-life compared with criteria (days)
C₁₀ butylcyclo-hexane	3.19	0.55	0.70	9.0	1	less than 182
C₁₅ nonylcyclo-hexane	3.04	0.57	0.65	57.9	1	less than 182

**Two-ring cycloalkanes**
**Ultimate Biodegradation**
	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	Extrapolated half-life compared with criteria (days)
C₉ cis-bicyclononane	2.92	0.51	0.58	0	0.001	less than 182
C₁₅ 2-isopenta-decylin	2.74	0.32	0.19	4.49	0	greater than or equal to 182
C₂₀ 2,4-dimethyl-octyl-2-decalin	2.67	0.45	0.26	4.5	0	greater than or equal to 182

**Polycyclo-alkanes**
**Ultimate Biodegradation**
	BIOWIN 3 (2009) Expert Survey^[b]	BIOWIN 5 (2009) MITI linear probability^[c]	BIOWIN 6 (2009) MITI non-linear probability^[c]	Extrapolated half-life compared with criteria (days)
C₁₄ hydro-phenanthrene	2.77	0.39	0.24	greater than or equal to 182
C₁₈ hydro-chrysene	2.65	0.29	0.07	greater than or equal to 182
C₂₂ hydropicene	2.54	0.19	0.02	greater than or equal to 182

**One-ring aromatics**
**Ultimate Biodegradation**
	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	Extrapolated half-life compared with criteria (days)
C₉ ethylmethyl-benzene	2.78	0.37	0.44	10.67^[*]	0.086	less than 182
C₁₅ 2-nonylbenzene	2.99	0.44	0.53	50.9	0.11	less than 182
C₂₀ tetradecyl-benzene	2.84	0.47	0.56	90.6	0.001	less than 182

**Cycloalkane mono-aromatics**
**Ultimate Biodegradation**
	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	Extrapolated half-life compared with criteria (days)
C₁₀ tetralin	2.76	0.28	0.36	0.71	0.003	less than 182
C₁₅ methyl-octahydro-phenanthrene	2.61	0.19	0.13	0.91^[*]	0	greater than or equal to 182
C₂₀ ethyl-dodecahydro-chyrsene	2.46	0.10	0.04	0.7	0	greater than or equal to 182

**Two-ring aromatics**
**Ultimate Biodegradation**
	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	Extrapolated half-life compared with criteria (days)
C₁₀ naphthalene	2.33	0.40	0.45	3.2	0.001	less than 182
C₁₅ 4-isopropyl-biphenyl	2.71	0.19	0.15	12.16	0	greater than or equal to 182

**Cycloalkane diaromatics**
**Ultimate Biodegradation**
	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	Extrapolated half-life compared with criteria (days)
C₁₂ acenaphthene	2.71	0.19	0.19	3.82	0	greater than or equal to 182
C₁₅ ethylfluorene	2.70	0.15	0.10	1.03^[*]	0	less than 182
C₂₀ isoheptyl-fluorene	2.47	-0.03	0.036	2.36^[*]	0.916	less than 182

**Three-ring PAHs**
**Ultimate Biodegradation**
	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	Extrapolated half-life compared with criteria (days)
C₁₅ 2-methyl-phenanthrene	2.70	0.26	0.16	21.23^[*]	0.004	less than 182

**Four-ring PAHs**
**Ultimate Biodegradation**
	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	Extrapolated half-life compared with criteria (days)
C₁₆ fluoranthene	1.95	0.19	0.11	19.67^[*]	0	greater than or equal to 182

Abbreviations: BOD, biological oxygen demand; MITI, Ministry of International Trade & Industry, Japan

^[a] Half-life estimations are for non-specific media (i.e., water, soil and sediment).

^[b] Output is a numerical score from 0–5.

^[c] Output is a probability score.

^[*] Modelled results were found to be out of domain and therefore not considered for persistence. For modelled results of CATABOL that were found to be out of domain, it was assumed that results for TOPKAT, BIOWIN 5, 6 were also out of domain because these models use the same dataset. In these cases, only BIOWIN 3, 4 and BioHCWin were considered when determining the persistence of the component.

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Table A 5.3. Modelled atmospheric degradation of representative structures in gas oils via reaction with hydroxyl radicals (AOPWIN 2008)

**Alkanes**
Alkanes	Half-lives (days)^[a]
C₁₀	1
C₁₅	0.6
C₂₀	0.4

**Isoalkanes**
Isoalkanes	Half-lives (days)^[a]
C₁₀	0.9
C₁₅	0.6
C₂₀	0.4

**One-ring cycloalkanes**
One-ring cycloalkanes	Half-lives (days)^[a]
C₁₀	0.7
C₁₅	0.4

**Two-ring cycloalkanes**
Two-ring cycloalkanes	Half-lives (days)^[a]
C₉	0.8
C₁₅	0.4
C₂₀	0.3

**Polycycloalkanes**
Polycycloalkanes	Half-lives (days)^[a]
C₁₄	0.4
C₁₈	0.3
C₂₂	0.2

**One-ring aromatics**
One-ring aromatics	Half-lives (days)^[a]
C₉	1.4
C₁₅	0.7
C₂₀	0.2

**Cycloalkane monoaromatics**
Cycloalkane monoaromatics	Half-lives (days)^[a]
C₁₀	0.3
C₁₅	0.5
C₂₀	0.3

**Two-ring aromatics**
Two-ring aromatics	Half-lives (days)^[a]
C₁₀	0.5
C₁₅	1.1

**Cycloalkane diaromatics**
Cycloalkane diaromatics	Half-lives (days)^[a]
C₁₂	0.2
C₁₅	0.6
C₂₀	0.5

**Three-ring aromatics**
Three-ring aromatics	Half-lives (days)^[a]
C₁₅	0.3

**Four-ring aromatics**
Four-ring aromatics	Half-lives (days)^[a]
C₁₆	0.4

^[a] Half-life estimations are for non-specific media (i.e., water, soil and sediment).

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Table A5.4. Experimental BAFs for aromatic hydrocarbons

**One-ring aromatics**
	Reference; Study	Log K_ow	BAF Experimental (L/kg ww)
C₆ benzene	Zhou et al. 1997 Atlantic salmon (white muscle); 96-hour (water-soluble fraction [WSF] of crude oil)	2.13 (expt.)	4
C₇ toluene	Zhou et al. 1997 Atlantic salmon (white muscle); 96-hour (WSF of crude oil)	2.73 (expt.)	11
C₈ ethylbenzene	Zhou et al. 1997 Atlantic salmon (white muscle); 96-hour (WSF of crude oil)	3.15 (expt.)	26
C₈ xylenes	Zhou et al. 1997 Atlantic salmon (white muscle); 96-hour (WSF of crude oil)	3.12 (expt.)	47
C₉ isopropylbenzene	Zhou et al. 1997 Atlantic salmon (white muscle); 96-hour (WSF of crude oil)	3.66 (expt.)	20
C₉ propylbenzene	Zhou et al. 1997 Atlantic salmon (white muscle); 96-hour (WSF of crude oil)	3.69 (expt.)	36
C₉ ethylmethylbenzene	Zhou et al. 1997 Atlantic salmon (white muscle); 96-hour (WSF of crude oil)	3.98 (expt.)	51
C₉ trimethylbenzene	Zhou et al. 1997 Atlantic salmon (white muscle); 96-hour (WSF of crude oil)	3.66 (expt.)	74

**Two-ring aromatics**
	Reference; Study	Log K_ow	BAF Experimental (L/kg ww)
C₁₀ naphthalene	Neff et al. 1976 Clam; 24-hour (oil-in-water dispersion of No. 2 fuel oil) lab study	3.30 (expt.)	2.3
C₁₁ methyl naphthalenes	Zhou et al. 1997 Atlantic salmon (white muscle); 96-hour (WSF of crude oil) lab study	3.87 (expt.)	230
C₁₁ 1-methylnaphthalene	Neff et al. 1976 Clam; 24-hour (oil-in-water dispersion of No. 2 fuel oil) lab study	3.87 (expt.)	8.5
C₁₁ 2-methylnaphthalene	Neff et al. 1976 Clam; 24-hour (oil-in-water dispersion of No. 2 fuel oil) lab study	3.86 (expt.)	8.1
C₁₂ dimethylnaphthalene	Neff et al. 1976: Clam; 24-hour (oil-in-water dispersion of No. 2 fuel oil) lab study	4.31 (expt.)	17.1
C₁₃ trimethylnaphthalene	Neff et al. 1976: Clam; 24-hour (oil-in-water dispersion of No. 2 fuel oil) lab study	4.81	26.7

**Three-ring aromatics**
	Reference; Study	Log K_ow	BAF Experimental (L/kg ww)
C₁₄ phenanthrene	Burkhard and Lukasewycz 2000 Lake trout; field study	4.57	87
C₁₆ fluoranthene	Burkhard and Lukasewycz 2000 Lake trout; field study	5.23	1550

Abbreviation: (expt.), experimental log K_ow data

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Table A5.5. Summary of empirical aquatic bioconcentration factors (BCFs) for various PAHs (adapted from European Commission 2008b)

**Fish**
Substance	Species	Exposure time	BCF (L/kg ww)	Reference
fluoranthene	Pimephales promelas (fathead minnow)	24 hours	9054	Weinstein and Oris 1999

**Molluscs**
Substance	Species	Exposure time	BCF (L/kg ww)	Reference
fluoranthene	Mytilus edulis (blue mussel)	96 hours	5920	McLeese and Burridge 1987
fluoranthene	Mya arenaria (clam)	96 hours	4120	McLeese and Burridge 1987

**Crustaceans**
Substance	Species	Exposure time	BCF (L/kg ww)	Reference
fluoranthene	Daphnia magna (water flea)	24 hours	1742	Newsted and Giesy 1987
fluoranthene	Cragon septemspinosa (sand shrimp)	96 hours	180	McLeese and Burridge 1987

**Polychaetes**
Substance	Species	Exposure time	BCF (L/kg ww)	Reference
fluoranthene	Nereis virens (sandworm)	96 hours	720	McLeese and Burridge 1987

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Table A5.6. Fish BAF and BCF predictions for representative structures of gas oils using Arnot-Gobas three trophic level model (2004) with corrections for metabolism rate (kM) and dietary assimilation efficiency (Ed)

**Alkanes^[*]**
	Log K_ow	Metabolic rate constant for MTL fish (day^-1)^[a]	BCF^[b]MTL fish (L/kg ww)	BAF^[b]MTL fish (L/kg ww)
C₁₀ decane (124-18-5)	5.0 (expt.)	0.37^[g]	479	513
C₁₅ pentadecane (629-62-9)	7.7	0.44^[c]	42	550

**Isoalkanes^[*]**
	Log K_ow	Metabolic rate constant for MTL fish (day^-1)^[a]	BCF^[b]MTL fish (L/kg ww)	BAF^[b]MTL fish (L/kg ww)
C₁₀ 4-methylnonane (17301-94-9)	5.2	0.13	1259	1584
C₁₅ 2-methyltetradecane (1560-95-8)	7.5	0.020^[d]	1148	181 970^[q]

**One-ring cycloalkanes^[*]**
	Log K_ow	Metabolic rate constant for MTL fish (day^-1)^[a]	BCF^[b]MTL fish (L/kg ww)	BAF^[b]MTL fish (L/kg ww)
C₁₀ butylcyclohexane (1678-93-9)	5.1	0.13	1445	1820
C₁₅ nonylcyclohexane (2883-02-5)	7.5	0.023^[f]	2630	22 909

**Two-ring cycloalkanes^[*]**
	Log K_ow	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	0.15	300	310
C₁₅ pentamethyldecalin	6.5	0.04^[h]	2884	8511

**Polycycloalkanes^[*]**
	Log K_ow	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	5.2	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^[*]**
	Log K_ow	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 n-nonylbenzene (1081-77-2)	7.1	0.01	4365	151 356

**Cycloalkane monoaromatics^[*]**
	Log K_ow	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 (tetrahydronaphthalene) 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^[*]**
	Log K_ow	Metabolic rate constant for MTL fish (day^-1)^[a]	BCF^[b]MTL fish (L/kg ww)	BAF^[b]MTL fish (L/kg ww)
C₁₀ naphthalene (91-20-3)	3.3	0.00	138	148
C₁₅ 4-isopropylbiphenyl	5.5	0.20^[o]	871	1175

**Cyclolkane diaromatics^[*]**
	Log K_ow	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	5.1	0.23	730	809
C₂₀ isoheptylfluorene	7.4	0.06^[p]	501	26 915

**Three-ring aromatics^[*]**
	Log K_ow	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-methylphenanthrene (2531-84-2)	4.9	0.20	789	851

**Four-ring aromatics**
	Log K_ow	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

^[a] Metabolic rate constant normalized to middle trophic level fish in Arnot-Gobas three trophic level model (2004) at weight = 184 g, temperature = 10°C, lipids = 6.8%) based on estimated QSAR vaues from BCFBAF v3.01, unless otherwise indicated.

^[b] Arnot-Gobas BCF and BAF predictions for midde 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 A5.7a and A5.7b (Appendix 5).

^[c] Based on rate constant for C₁₅ n-pentadecane.

^[d] Based on BCF and BMF 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.

^[g] Based on rate constant for n-octane.

^[h] Based on rate constant data forisopropyldecalin and diisopropyldecalin.

^[i] Based on rate constant data for isopropylhydrophenanthrene 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 dodecahydrochrysens.

^[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).

^[*] Note: Alkanes C₂₀, isoalkanes C₂₀, two-ring cycloalkanes C₂₀ and one-ring aromatics C₂₀ all having values of log K_ow greater than 8 were excluded from this comparison, as model predictions may be highly uncertain for chemicals that have estimated log K_ow values greater than 8 (Arnot and Gobas 2003).
(expt.) = experimental log K_ow data.

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Table A5.7a. Experimental BCFs for selected representative structures

**Alkanes**
	Log K_ow	Study Endpoint	BCF or BMF Measured (L/kg ww)	Predicted BCF^[a](L/kg ww)		Predicted BAF^[a](L/kg ww)		Reference; species
Study conditions^[b]	Log K_ow	Study Endpoint	BCF or BMF Measured (L/kg ww)	MTL fish^[c]	Study conditions^[b]	MTL fish^[c]		Reference; species
C₈ octane^[h]	5.18 (expt.)	BCFss1	530	537	490	560	537	JNITE 2010; carp
C₁₂ n-dodecane^[h]	6.10 (expt.)	BCFss1	240	240	794	251	1950	Tolls and van Dijk 2002; fathead minnow
C₁₅ n-pentadecane	7.71	BCFss1	20	21	18	100	112	CITI 1992; carp
C₁₅ n-pentadecane	7.71	BCFss1	26	27	23	162	182	JNITE 2010; carp
C₁₆ n-hexadecane^[h]	8.20	BCFss1	46	47	41	1778	1995	CITI 1992; carp
C₁₆ n-hexadecane^[h]	3.15 (expt.)	BCFss1	20	20	20	21	21	JNITE 2010; carp

**Isoalkanes**
	Log K_ow	Study Endpoint	BCF or BMF Measured (L/kg ww)	Predicted BCF^[a](L/kg ww)		Predicted BAF^[a](L/kg ww)		Reference; species
Study conditions^[b]	Log K_ow	Study Endpoint	BCF or BMF Measured (L/kg ww)	MTL fish^[c]	Study conditions^[b]	MTL fish^[c]		Reference; species
C₁₅ 2,6,10-trimethyl-dodecane^[h]	7.49	BCFss1	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, 2005b; rainbow trout

**One-ring cycloalkanes**
	Log K_ow	Study Endpoint	BCF or BMF Measured (L/kg ww)	Predicted BCF^[a](L/kg ww)		Predicted BAF^[a](L/kg ww)		Reference; species
Study conditions^[b]	Log K_ow	Study Endpoint	BCF or BMF Measured (L/kg ww)	MTL fish^[c]	Study conditions^[b]	MTL fish^[c]		Reference; species
C₆ cyclohexane^[h]	3.44 (expt.)	BCFss1	77	77	89	77	89	CITI 1992; carp
C₇ 1-methylcyclohexane^[h]	3.61 (expt.)	BCFss1	240	190^[*]	275^[*]	229^[*]	426^[*]	CITI 1992; carp
C₈ ethylcyclohexane^[h]	4.56 (expt.)	BCFss1	2529	1622^[*]	2344^[*]	4467^[*]	5495^[*]	CITI 1992; carp
C₁₄ n-octylcyclohexane^[h]	7.0	BMFkinetic	0.06	n/a	n/a	n/a	n/a	EMBSI 2006a; BMF rainbow trout

**Two-ring cycloalkanes**
	Log K_ow	Study Endpoint	BCF or BMF Measured (L/kg ww)	Predicted BCF^[a](L/kg ww)		Predicted BAF^[a](L/kg ww)		Reference; species
Study conditions^[b]	Log K_ow	Study Endpoint	BCF or BMF Measured (L/kg ww)	MTL fish^[c]	Study conditions^[b]	MTL fish^[c]		Reference; species
C₁₀ trans-decalin^[h]	4.20	BCFss1	2200	724^[*]	1072^[*]	1288^[*]	1660^[*]	CITI 1992; carp
C₁₀ cis-decalin^[h]	4.20	BCFss1	2500	724^[*]	1072^[*]	1288^[*]	1660^[*]	CITI 1992; carp
C₁₃ isopropyldecalin^[h]	5.50	BMFkinetic	0.02	n/a	n/a	n/a	n/a	EMBSI 2006a; BMF rainbow trout
C₁₆ diisopropyldecalin^[h]	6.85	BMFkinetic	0.1	n/a	n/a	n/a	n/a	EMBSI 2008a; BMF rainbow trout

**Polycycloalkanes**
	Log K_ow	Study Endpoint	BCF or BMF Measured (L/kg ww)	Predicted BCF^[a](L/kg ww)		Predicted BAF^[a](L/kg ww)		Reference; species
Study conditions^[b]	Log K_ow	Study Endpoint	BCF or BMF Measured (L/kg ww)	MTL fish^[c]	Study conditions^[b]	MTL fish^[c]		Reference; species
C₁₇ isopropylhydro-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 per-hydrochrysene^[h]	6.0	BMFkinetic	0.38	n/a	n/a	n/a	n/a	EMBSI 2008b; BMF rainbow trout

**One-ring aromatics**
	Log K_ow	Study Endpoint	BCF or BMF Measured (L/kg ww)	Predicted BCF^[a](L/kg ww)		Predicted BAF^[a](L/kg ww)		Reference; species
Study conditions^[b]	Log K_ow	Study Endpoint	BCF or BMF Measured (L/kg ww)	MTL fish^[c]	Study conditions^[b]	MTL fish^[c]		Reference; species
C₉ 1,2,3-trimethyl-benzene^[h]	3.66 (expt.)	BCFss1	133^[e]	135	155	135	155	CITI 1992; carp
C₁₀ 1,2-diethylbenzene^[c]	3.72 (expt.)	BCFss1	516^[e]	245^[*]	355^[*]	309^[*]	427^[*]	CITI 1992; carp
C₁₁ 1-methyl-4-tertbutylbenzene^[h]	3.66 (expt.)	BCFss1	less than 1.0	214^[*]	309^[*]	263^[*]	263^[*]	JNITE 2010; carp
C₁₄ n-octylbenzene^[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 decylbenzene^[h]	7.4 (expt.)	BMFkinetic	0.18	n/a	n/a	n/a	n/a	EMBSI 2005d; BMF rainbow trout

**Cycloalkane monoaromatics**
	Log K_ow	Study Endpoint	BCF or BMF Measured (L/kg ww)	Predicted BCF^[a](L/kg ww)		Predicted BAF^[a](L/kg ww)		Reference; species
Study conditions^[b]	Log K_ow	Study Endpoint	BCF or BMF Measured (L/kg ww)	MTL fish^[c]	Study conditions^[b]	MTL fish^[c]		Reference; species
C₁₀ tetralin	3.49 (expt.)	BCFss1	230	145^[*]	214^[*]	166^[*]	562^[*]	CITI 1992; carp
C₁₄ octahydro-phenanthrene^[h]	5.9	BCFss1	3418	n/a	n/a	n/a	n/a	EMBSI 2005d; BCF rainbow trout
C₁₄ octahydro-phenanthrene^[h]	5.9	BMFkinetic1	0.13	n/a	n/a	n/a	n/a	EMBSI 2009; BMF rainbow trout
C₁₈ dodecahydro-chyrsene^[h]	6.00	BCFss1	4588	n/a	n/a	n/a	n/a	EMBSI 2008c; rainbow trout
C₁₈ dodecahydro-chyrsene^[h]	6.00	BMFkinetic1	0.17	n/a	n/a	n/a	n/a	EMBSI 2010a; BMF rainbow trout

**Two-ring aromatics**
	Log K_ow	Study Endpoint	BCF or BMF Measured (L/kg ww)	Predicted BCF^[a](L/kg ww)		Predicted BAF^[a](L/kg ww)		Reference; species
Study conditions^[b]	Log K_ow	Study Endpoint	BCF or BMF Measured (L/kg ww)	MTL fish^[c]	Study conditions^[b]	MTL fish^[c]		Reference; species
C₁₀ naphthalene	3.30 (expt.)	BCFss1	94	95^[*]	138^[*]	105^[*]	148^[*]	JNITE 2010; carp
	3.30 (expt.)	BCFss1	93^[e]	95^[*]	138^[*]	105^[*]	148^[*]	CITI 1992; carp
C₁₁ 2-methylnaphthalene^[h]	3.86 (expt.)	BCFss1 BMFkinetic1	2886^[e] 3930^[f]	2884^[*]	n/a	2884^[*]	n/a	Jonsson et al. 2004; sheepshead minnow
C₁₂ 1,3-dimethyl-naphthalene^[h]	4.42 (expt.)	BCFss1 BMFkinetic1	4039^[e] 5751^[f]	4073	n/a	4073	n/a	Jonsson et al. 2004; sheepshead minnow
C₁₃ 2-isopropyl-naphthalene^[h]	4.63	BCFss1 BMFkinetic1	12 902^[e] 33 321^[f]	12 882	n/a	12 882	n/a	Jonsson et al. 2004; sheepshead minnow
C₁₄ 4-ethylbiphenyl^[h]	4.80	BCFss1	839^[e]	832	759	851	813	Yakata et al. 2006; carp

**Cycloalkane diaromatics**
	Log K_ow	Study Endpoint	BCF or BMF Measured (L/kg ww)	Predicted BCF^[a](L/kg ww)		Predicted BAF^[a](L/kg ww)		Reference; species
Study conditions^[b]	Log K_ow	Study Endpoint	BCF or BMF Measured (L/kg ww)	MTL fish^[c]	Study conditions^[b]	MTL fish^[c]		Reference; species
C₁₂ acenaphthene	3.92 (expt.)	BCFss1	991^[e]	389	562	977	741	CITI 1992; carp
C₁₈ hexahydroterphenyl^[h]	6.44	BCFss1	1646	n/a	n/a	n/a	n/a	EMBSI 2008c; rainbow trout
C₁₈ hexahydroterphenyl^[h]	6.44	BMFkinetic	0.06	n/a	n/a	n/a	n/a	EMBSI 2009; rainbow trout
C₁₈ octahydrochrysene^[h]	6.0	BMFkinetic	0.05	n/a	n/a	n/a	n/a	EMBSI 2010a; BMF rainbow trout
C₁₈ hexahydrochrysene^[h]	5.8	BMFkinetic	0.05	n/a	n/a	n/a	n/a	EMBSI 2010a; BMF rainbow trout

**Three- and Four-ring aromatics**
	Log K_ow	Study Endpoint	BCF or BMF Measured (L/kg ww)	Predicted BCF^[a](L/kg ww)		Predicted BAF^[a](L/kg ww)		Reference; species
Study conditions^[b]	Log K_ow	Study Endpoint	BCF or BMF Measured (L/kg ww)	MTL fish^[c]	Study conditions^[b]	MTL fish^[c]		Reference; species
C₁₂ acenaphthylene^[h]	3.94 (expt.)	BCFss1	275^[e]	275	380	275	390	Yakata 2006; Carp
C₁₃ fluorene^[h]	4.18 (expt.)	BCFss1	1030^[e]	1023	1071	1023	3311	CITI 1992 (carp); Carlson et al. 1979 (fathead minnow)
C₁₄ phenanthrene^[h]	4.46 (expt.)	BCFss1	2944^[e]	2951	1905^[*]	2884	3890^[*]	Carlson et al. 1979; fathead minnow
C₁₆ fluoranthene^[h]	5.16 (expt.)	BCFss1	277^[e]	275	646	281	724	EMBSI 2007a, 2007b (cited in Lampi et al. 2010); rainbow trout
C₁₆ fluoranthene^[h]	5.16 (expt.)	BCFss1	1700	1698	1288	1820	1621	Carlson et al. 1979 (cited in Lampi et al. 2010); fathead minnow
C₁₆ fluoranthene^[h]	5.16 (expt.)	BCFss1	0.021^[f]	n/a	n/a	n/a	n/a	EMBSI, 2007a, 2007b 2008b, 2009; BMF; rainbow trout
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

^[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 (weight = 184 g, temperature = 10°C, lipid = 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.

^[*] 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 K_ow 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 A5.7b. Calculated kinetic rate constants for selected representative structures of gas oils

**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-trimethyldodecane^[e]	BCFss^[1]	1317	0.2103^[b] 1.139	0.000^[c] 0.005
C₁₅ 2,6,10-trimethyldodecane^[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	Total elimination rate constant day^-1 (kT)^[b]
C₁₇ isopropylhydrophenanthrene^[e]	BMFkinetic	0.078 0.043
C₁₈ 1-methyl-7-(isopropyl)-hydro-phenanthrene^[e]	BMFkinetic	0.071 0.036
C₁₈ perhydrochrysene^[e]	BMFkinetic	0.091 0.056

**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-trimethylbenzene^[e]	BCFss^[1]	398	2.989	1.852
C₁₀ 1,2-diethylbenzene^[e]	BCFss^[1]	398	1.679	1.617
C₁₁ 1-methyl-4-tertbutylbenzene^[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 octahydrophenanthrene^[e]	BCFss^[1]
C₁₄ octahydrophenanthrene^[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	BCFss^[1]	387	4.138	4.129
C₁₁ 2-methylnaphthalene^[e]	BCFss^[1] BCFkinetic^[1]	1089	0.610d 0.610	0.607
C₁₂ 1,3-dimethylnaphthalene^[e]	BCFss^[1] BCFkinetic^[1]	2322^[d] 1100	0.406^[d] 0.406	0.403
C₁₃ 2-isopropylnaphthalene^[e]	BCFss^[1] BCFkinetic^[1]	3961^[d]	0.120^[d] 0.120	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^[e]	BCFss^[1]	197	0.548	0.151
C₁₈ 1-methyl-7-(1-methylethyl)-phenanthrene^[e]	BMFkinetic		1.815 1.78	0.000

Table A5.7b cont. Calculated kinetic rate constants for selected representative structures of gas oils

**Alkanes**
Substance	Study endpoint	Metabolic rate constant day^-1 (kM)^[a]	Growth rate constant day^-1 (kG)	Fecal egestion rate constant day^-1 (kE)^[c]	Reference; species
C₈ octane^[e]	BCFss^[1]	0.657	0.001	0.007	JNITE 2010; carp
C₁₂ n-dodecane^[e]	BCFss^[1]	4.95	0.002	0.013	Tolls and van Dijk 2002; fathead minnow
C₁₅ n-pentadecane	BCFss^[1]	1.69	0.001	0.003	CITI 1992; carp
C₁₅ n-pentadecane	BCFss^[1]	1.30	0.001	0.003	JNITE 2010; carp
C₁₆ n-hexadecane^[e]	BCFss^[1]	0.249	0.001	0.002	CITI 1992; carp
C₁₆ n-hexadecane^[e]	BCFss^[1]	13.30	0.001	0.008	JNITE 2010; carp

**Isoalkanes**
Substance	Study endpoint	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]	BCFss^[1]	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]	BMFkinetic	0.032^[h]	0.035	0.004	28%^[e]	EMBSI 2004a, 2005a; rainbow trout

**One-ring cycloalkanes**
Substance	Study endpoint	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]	BCFss^[1]	2.050	0.001	0.008		CITI 1992; carp
C₇ 1-methylcyclohexane^[e]	BCFss^[1]	-0.429	0.001	0.008		CITI 1992; carp
C₈ ethylcyclohexane^[e]	BCFss^[1]	-0.087	0.001	0.008		CITI 1992; carp
C₁₄ n-octylcyclohexane^[e]	BMFkinetic	0.087^[h]	0.035	0.008	5%	EMBSI 2006a; BMF rainbow trout

**Two-ring cycloalkanes**
Substance	Study endpoint	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]	BCFss^[1]	-0.336	0.001	0.008		CITI 1992; carp
C₁₀ cis-decalin^[e]	BCFss^[1]	-0.390	0.001	0.008		CITI 1992; carp
C₁₃ isopropyldecalin^[e]and C₁₆ diisopropyldecalin^[e]	BMFkinetic	0.128^[h]	0.035	0.008	6%	EMBSI 2006a

**Polycycloalkanes**
Substance	Study endpoint	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 isopropyl-hydrophenanthrene^[e]	BMFkinetic	0.035^[h]	0.035	0.008	13%	EMBSI 2006b; rainbow trout
C₁₈ 1-methyl-7-(isopropyl)-hydrophenanthrene^[e]	BMFkinetic	0.030^[h]	0.035	0.006	9%	EMBSI 2008a; rainbow trout
C₁₈ perhydrochrysene^[e]	BMFkinetic	0.048^[h]	0.035	0.008	15%	EMBSI 2008b; rainbow trout

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

**Cycloalkane monoaromatics**
Substance	Study endpoint	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	BCFss^[1]	-1.009	0.001	0.008		CITI 1992; carp
C₁₄ octahydro-phenanthrene^[e]	BCFss^[1]					EMBSI 2005d; BCF rainbow trout
C₁₄ octahydro-phenanthrene^[e]	BMFkinetic^[1]	0.197^[h]	0.035	0.007	19%	EMBSI 2009; BMF rainbow trout
C₁₈ dodecahydro-chyrsene^[e]	BCFss^[1]	n/a	n/a	n/a	n/a	EMBSI 2008c; rainbow trout
C₁₈ dodecahydro-chyrsene^[e]	BMFkinetic^[1]	0.132^[h]	0.035	0.007	18%	EMBSI 2008c; rainbow trout

**Two-ring aromatics**
Substance	Study endpoint	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	BCFss^[1]	-0.020	0.001	0.008		JNITE 2010; carp
C₁₁ 2-methylnaphthalene^[e]	BCFss^[1] BCFkinetic^[1]	0.000	0.002	0.001	3.2%^[g]	Jonsson et al. 2004; sheepshead minnow
C₁₂ 1,3-dimethyl-naphthalene^[e]	BCFss^[1] BCFkinetic^[1]	0.000	0.002	0.001	3.2%^[g]	Jonsson et al. 2004 (cited in Lampi et al. 2010); sheepshead minnow
C₁₃ 2-isopropyl-naphthalene^[e]	BCFss^[1] BCFkinetic^[1]	-0.447	0.002	0.014	3.2%^[g]	Jonsson et al. 2004; sheepshead minnow
C₁₄ 4-ethylbiphenyl^[e]	BCFss^[1]	0.645	0.002	0.013		Yakata et al. 2006; carp

**Cycloalkane diaromatics**
Substance	Study endpoint	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	BCFss^[1]	-0.632	0.001	0.008		CITI 1992; carp
C₁₈ hexahydroterphenyl^[e]	BCFss^[1]	n/a	n/a	n/a	n/a	EMBSI 2008c; rainbow trout
C₁₈ octahydrochrysene^[e]	BMFkinetic	1.383^[h]	0.034	0.007	55%	EMBSI 2010a; BMF rainbow trout
C₁₈ hexahydrochrysene^[e]	BMFkinetic	1.383^[h]	0.034	0.007	49%	EMBSI 2010a; BMF rainbow trout

**Three- and Four-ring aromatics**
Substance	Study endpoint	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]	BCFss^[1]	0.370	0.001	0.010		Yakata et al. 2006; carp
C₁₃ fluorene^[e]	BCFss^[1]	-0.302	0.001	0.012		CITI 1992; Carlson et al. 1979; fathead minnow
C₁₃ fluorene^[e]	BMFkinetic^[1]	0.098	n/a	0.002	14%	Niimi and Palazzo 1986
C₁₄ phenanthrene^[e]	BCFss^[1]	-0.512	0.002	0.012		Carlson et al. 1979; fathead minnow
C₁₆ fluoranthene^[e]	BCFss^[1]	0.383	0.002	0.012		Carlson et al. 1979
C₁₈ 1-methyl-7-(1-methylethyl)-phenanthrene^[e]	BMFkinetic	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 K_ow, 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 K_ow, fish body weight, temperature and lipid content of fish from cited study.

^[1] BCF steady state (tissue conc./water conc.).

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

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**Table A5.8. Trophic magnification factors^[a] (TMF) 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
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.

**Table A5.9. Modelled acute aquatic toxicity data for CAS RN 64741-59-9 (PETROTOX 2009)^[a]**
Test organism	Common name	LL₅₀^[b] (mg/L) 80:20 Ar:Al	LL₅₀^[b] (mg/L) 61:39 Ar:Al
Palaemonetes pugio	Grass shrimp	0.13	0.44
Rhepoxynius abronius	Marine amphipod	0.06	0.08
Neanthes arenaceodentata	Marine worm	1.13	2.55
Nitocra spinipes	Harpacticoid copepod	1.11	2.49
Oitona davisae	Marine copepod	0.65	1.36
Portunus pelagicus	Blue crab	0.12	0.19
Menidia beryllina	Inland silverside	3.78	9.83

^[a] PETROTOX was run in the low resolution mode that requires only an aromatic to aliphatic ratio and a boiling point range for each hydrocarbon block.

^[b] LL₅₀ refers to lethal loading, the amount of substance necessary to be added in order to kill 50% of test organisms (Ar:Al, aromatic : aliphatic ratio).

**Table A5.10. Aquatic toxicity of Fuel Oil No. 2**
Organism	Common name	Duration	Endpoint	Test type	Value (mg/L)	Reference
Fundulus similis	Longnose killifish	48 hours (acute)	LC₅₀	WSF	4.7	Anderson et al. 1974
Cyprinodon variegatus	Sheepshead minnow	48 hours (acute)	LC₅₀	WSF	greater than 6.9	Anderson et al. 1974
Menidia beryllina	Inland silverside	48 hours (acute)	LC₅₀	WSF	5.2	Anderson et al. 1974
Daphnia magna	Water flea	48 hours (acute)	LC₅₀	WSF	2.2	MacLean and Doe 1989
Artemia spp.	Brine shrimp	48 hours (acute)	LC₅₀	WSF	11.2	MacLean and Doe 1989
Lucifer faxoni	Planktonic shrimp	48 hours (acute)	LD₅₀	WSF	4.6	Lee et al. 1978
Mysidopsis almyra	Mysid shrimp	48 hours (acute)	LC₅₀	WSF	0.9	Anderson et al. 1974
Palaemonetes pugio	Grass shrimp	48 hours (acute)	LD₅₀	WSF	4.1	Anderson et al. 1974
Neanthes arenaceodentata	Marine worm	48 hours (acute)	LC₅₀	WSF	3.2	Rossi et al. 1976
Capitella capitata	Marine worm	48 hours (acute)	LC₅₀	WSF	3.5	Rossi et al. 1976

**Table A5.11. Aquatic toxicity of diesel fuel**
Organism	Common name	Duration	Endpoint	Test type	Value (mg/L)	Reference
Oncorhynchus mykiss	Rainbow trout	48 hours (acute)	LL₅₀	WAF	2.4	Lockhart et al. 1987
Artemia spp.	Brine shrimp	48 hours (acute)	LC₅₀	WSF	23.7	MacLean and Doe 1989
Daphnia magna	Water flea	48 hours (acute)	LC₅₀	WSF	7.16	MacLean and Doe 1989

**Table A5.12. Estimated volume of water in contact with medium persistence oil for loading and transport processes via ship for various spill sizes (RMRI 2007)**
**Volume of water in contact with oil (× 10⁶ m³)**
Spill size (barrels)	Loading	Transport
1–49	40	5300
50–999	60	5500
1000–9999	150	8100
10 000–99 999	500	14 000
100 000–199 999	3500	37 000
greater than 200 000	33 000	62 000

Table A5.13. An analysis of modelled and experimental persistence and bioaccumulation data on petroleum hydrocarbons with respect to the Canadian *Persistence and Bioaccumulation Regulations* (Canada 2000)**^[a]**
C#	C₉	C₁₀	C₁₂	C₁₃	C₁₄	C₁₅	C₁₈	C₂₀	C₂₂
n-Alkanes	*						*	*	*
i-Alkanes	*					B	*	*	*
Monocycloalkane	*		*	*	*	B	*	*	*
Dicycloalkane	*		*	*	*	PB	P*	P*	*
Polycycloalkane	(-)	(-)	(-)	(-)	PB	P	P	P	PB
Monoaromatic		*	*	*	*	B	*	*	*
Cycloalkane monoaromatic	*		*	*	*	PB	PB	PB	*
Diaromatic	(-)					P	*	*	*
Cycloalkane diaromatic	(-)	(-)	P				*	B	*
Three-ring PAH	(-)	(-)	*	*	*		*	*	*
Four-ring PAH	(-)	(-)	(-)	(-)	(-)	(-)	*	*	*

^[a] Bioaccumulation potential for carbon number with no experimental data will be assumed to be the same as for carbon numbers bracketing them. For example, the C₁₅ and C₂₀ cycloalkane monoaromatics were found to bioaccumulative, therefore, the carbon numbers between the ranges of C₁₅–C₂₀ for the cycloalkane monoaromatics will be assumed to be bioaccumulative.

P = Predicted persistence based on data from BioHCWin (2008), BIOWIN (2008), CATABOL (c2004–2008) and TOPKAT (2004).

B = Predicted fish BCFs and/or BAFs using the 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 K_ow greater than 8 as model predictions may be highly uncertain for chemicals that have estimated log K_ow values greater than 8 (Arnot and Gobas 2003).

Date modified:: 2013-09-10

Appendices of the Final Screening Assessment Petroleum Sector Stream Approach Gas Oils [Industry-Restricted] Chemical Abstracts Service Registry Numbers 64741-59-964741-82-8Environment CanadaHealth CanadaJuly 2013

Appendices

Appendix 5: Modelling results for environmental properties of industry restricted gas oils

Table A5.1. Results of Level III fugacity modelling of representative gas oil hydrocarbons (EQC 2003)

Table A 5.2. Modelled data for primary (BioHCWin 2008; BIOWIN4 2009) and ultimate (BIOWIN3,5,6 2009; CATABOL, TOPKAT) degradation of gas oils components

Table A 5.2 cont. Modelled data for primary (BioHCWin 2008; BIOWIN4 2009) and ultimate (BIOWIN3,5,6 2009; CATABOL, TOPKAT) biodegradation of gas oil components

Table A 5.3. Modelled atmospheric degradation of representative structures in gas oils via reaction with hydroxyl radicals (AOPWIN 2008)

Table A5.4. Experimental BAFs for aromatic hydrocarbons

Table A5.5. Summary of empirical aquatic bioconcentration factors (BCFs) for various PAHs (adapted from European Commission 2008b)

Table A5.6. Fish BAF and BCF predictions for representative structures of gas oils using Arnot-Gobas three trophic level model (2004) with corrections for metabolism rate (kM) and dietary assimilation efficiency (Ed)

Table A5.7a. Experimental BCFs for selected representative structures

Table A5.7b. Calculated kinetic rate constants for selected representative structures of gas oils

Table A5.7b cont. Calculated kinetic rate constants for selected representative structures of gas oils

Appendices of the Final Screening Assessment

Petroleum Sector Stream Approach
Gas Oils
[Industry-Restricted]

Chemical Abstracts Service Registry Numbers
64741-59-9
64741-82-8

Environment Canada
Health Canada
July 2013