Appendices of Final Screening Assessment Petroleum Sector Stream Approach Heavy Fuel Oils [Industry-Restricted]

Official Title: Appendices of Final Screening Assessment Petroleum Sector Stream Approach Heavy Fuel Oils [Industry-Restricted]

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July 2013

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Appendices

Appendix 1: Petroleum substance groupings

Table A1.1. Description of the nine groups of petroleum substances
Groupa Description Example
Crude oils Complex combinations of aliphatic and aromatic hydrocarbons and small amounts of inorganic compounds, naturally occurring under the earth’s surface or under the seafloor Crude oil
Petroleum and refinery gases Complex combinations of light hydrocarbons primarily from C1–C5 Propane
Low boiling point naphthas Complex combination of hydrocarbons primarily from C4–C12 Gasoline
Gas oils Complex combination of hydrocarbons primarily from C9–C25 Diesel
Heavy fuel oils Complex combination of heavy hydrocarbons primarily from C11–C50 Fuel Oil No. 6
Base oils Complex combination of hydrocarbons primarily from C15–C50 Lubricating oils
Aromatic extracts Complex combination of primarily aromatic hydrocarbons from C15–C50 Feedstock for benzene production
Waxes, slack waxes and petrolatum Complex combination of primarily aliphatic hydrocarbons from C12–C85 Petrolatum
Bitumen or vacuum residues Complex combination of heavy hydrocarbons having carbon numbers greater than C25 Asphalt

a These groups were based on classifications developed by Conservation of Clean Air and Water in Europe (CONCAWE) and a contractor’s report presented to the Canadian Petroleum Products Institute (Simpson 2005).

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Appendix 2: Physical and chemical data tables for industry-restricted HFOs

Table A2.1. Substance identity of industry-restricted HFOs
CAS RN and DSL Name 64741-75-9
Residues (petroleum), hydrocracked
NCI 2006
CAS RN and DSL Name 68783-08-4
Gas oils (petroleum), heavy atmospheric
NCI 2006
CAS RN and DSL Name 70592-76-6
Distillates (petroleum), intermediate vacuum
NCI 2006
CAS RN and DSL Name 70592-77-7
Distillates (petroleum), light vacuum
NCI 2006
CAS RN and DSL Name 70592-78-8
Distillates (petroleum), vacuum
NCI 2006
Chemical group Petroleum – HFOs  
Major components Aromatic and aliphatic hydrocarbons   CONCAWE 1998
Carbon range CAS RN 64741-75-9 greater than C20 CONCAWE 1998
Carbon range CAS RN 68783-08-4 C7–C35 CONCAWE 1998
Carbon range CAS RN 70592-76-6 C14–C42 CONCAWE 1998
Carbon range CAS RN 70592-77-7 C11–C35 CONCAWE 1998
Carbon range CAS RN 70592-78-8 C15–C50 CONCAWE 1998
Approximate ratio of aromatics to non-aromatics 50:50 API 2004
Three- to Seven-ring polynuclear aromatic hydrocarbons (PAHs) (weight %) 6–20% CONCAWE 1998
Table A2.2. Boiling point ranges for HFOs (CONCAWE 1998)
CAS RN Boiling point range (°C) Carbon range Reference
64741-75-9 greater than 350 greater than C20 CONCAWE 1998; API 2004
68783-08-4 121–510 C7–C35 CONCAWE 1998; API 2004
70592-76-6 250–545 C14–C42 CONCAWE 1998; API 2004
70592-77-7 250–545 C11–C35 CONCAWE 1998; API 2004
70592-78-8 270–600 C15–C50 CONCAWE 1998; API 2004

Tables A2.3. Representative structures attributed to each CAS RN

Table A2.3.1. Alkanes
Alkanes Boiling point (°C) CAS RN
64741-75-9
CAS RN
68783-08-4
CAS RN
70592-76-6
CAS RN
70592-77-7
CAS RN
70592-78-8
C9 151 -
Yes - - -
C15 271 - Yes Yes Yes Yes
C20 343 - Yes Yes Yes Yes
C30 450 Yes Yes Yes Yes Yes
C50 548 Yes - - - Yes
Table A2.3.2. Isoalkanes
Isoalkanes Boiling point (°C) CAS RN
64741-75-9
CAS RN
68783-08-4
CAS RN
70592-76-6
CAS RN
70592-77-7
CAS RN
70592-78-8
C9 141 - Yes - - -
C15 250 - Yes Yes Yes -
C20 326 - Yes Yes Yes Yes
C30 350 Yes Yes Yes Yes Yes
C50 548 Yes - - - Yes
Table A2.3.3. One-ring cycloalkanes
One-ring cycloalkanes Boiling point (°C) CAS RN
64741-75-9
CAS RN
68783-08-4
CAS RN
70592-76-6
CAS RN
70592-77-7
CAS RN
70592-78-8
C9 144 - Yes - - -
C15 282 - Yes Yes Yes  
C20 360 Yes Yes Yes Yes Yes
C30 421 Yes Yes Yes Yes Yes
C50 699 Yes - - - -
Table A2.3.4. Two-ring cycloalkanes
Two-ring cycloalkanes Boiling point (°C) CAS RN
64741-75-9
CAS RN
68783-08-4
CAS RN
70592-76-6
CAS RN
70592-77-7
CAS RN
70592-78-8
C9 167 - Yes - - -
C15 244 - Yes - - -
C20 339 - Yes Yes Yes Yes
C30 420 Yes Yes Yes Yes Yes
C50 687 Yes - - - -
Table A2.3.5. Polycycloalkanes
Polycycloalkanes Boiling point (°C) CAS RN
64741-75-9
CAS RN
68783-08-4
CAS RN
70592-76-6
CAS RN
70592-77-7
CAS RN
70592-78-8
C14 255 - Yes Yes Yes -
C18 316 - Yes Yes Yes Yes
C22 365 Yes Yes Yes Yes Yes
Table A2.3.6. One-ring aromatics
One-ring aromatics Boiling point (°C) CAS RN
64741-75-9
CAS RN
68783-08-4
CAS RN
70592-76-6
CAS RN
70592-77-7
CAS RN
70592-78-8
C9 165 - Yes - - -
C15 281 - Yes Yes Yes Yes
C20 359 Yes Yes Yes Yes Yes
C30 437 Yes Yes Yes Yes Yes
C50 697 Yes - - - -
Cycloalkane monoaromatics
Cycloalkane monoaromatics Boiling point (°C) CAS RN
64741-75-9
CAS RN
68783-08-4
CAS RN
70592-76-6
CAS RN
70592-77-7
CAS RN
70592-78-8
C10 208   Yes      
C15 285   Yes Yes Yes Yes
C20 351 Yes Yes Yes Yes Yes
Two-ring aromatics
Two-ring aromatics Boiling point (°C) CAS RN
64741-75-9
CAS RN
68783-08-4
CAS RN
70592-76-6
CAS RN
70592-77-7
CAS RN
70592-78-8
C15 308   Yes Yes Yes Yes
C20 373 Yes Yes Yes Yes Yes
C30 469 Yes Yes Yes Yes Yes
C50 722 Yes        
Cycloalkane diaromatics
Cycloalkane diaromatics Boiling point (°C) CAS RN
64741-75-9
CAS RN
68783-08-4
CAS RN
70592-76-6
CAS RN
70592-77-7
CAS RN
70592-78-8
C12 279   Yes Yes Yes Yes
C15 321   Yes Yes Yes Yes
C20 374 Yes Yes Yes Yes Yes
Three-ring aromatics
Three-ring aromatics Boiling point (°C) CAS RN
64741-75-9
CAS RN
68783-08-4
CAS RN
70592-76-6
CAS RN
70592-77-7
CAS RN
70592-78-8
C15 350   Yes Yes Yes Yes
C20 398 Yes Yes Yes Yes Yes
C30 493 Yes Yes Yes Yes Yes
C50 746 Yes        
Four-ring aromatics
Four-ring aromatics Boiling point (°C) CAS RN
64741-75-9
CAS RN
68783-08-4
CAS RN
70592-76-6
CAS RN
70592-77-7
CAS RN
70592-78-8
C16 384 Yes Yes Yes Yes Yes
C20 480 Yes Yes Yes Yes Yes
Five-ring aromatics
Five-ring aromatics Boiling point (°C) CAS RN
64741-75-9
CAS RN
68783-08-4
CAS RN
70592-76-6
CAS RN
70592-77-7
CAS RN
70592-78-8
C20 495 Yes Yes Yes Yes Yes
C30 545 Yes   Yes Yes Yes
Six- ring aromatics
Six- ring aromatics Boiling point (°C) CAS RN
64741-75-9
CAS RN
68783-08-4
CAS RN
70592-76-6
CAS RN
70592-77-7
CAS RN
70592-78-8
C22 greater than 500 Yes Yes Yes Yes Yes

Table A2.4. Physical-chemical properties for representative structures of HFOs[a]

Alkanes
Chemical class, name (CAS RN) HFO represented Boiling point (°C) Melting point
(°C)
Vapour pressure
(Pa)[b]
Sub-cooled
liquid vapour pressure
(Pa)[c]
C9
n-nonane
(111-84-2)
68783-08-4 151
(expt.)
−54
(expt.)
593
(expt.)
 
C15
pentadecane
(629-62-9)
68783-08-4, 70592-76-6, 70592-77-7, 70592-78-8 271
(expt.)
12 0.03  
C20
eicosane
(112-95-8)
68783-08-4, 70592-76-6, 70592-77-7, 70592-78-8 343
(expt.)
37
(expt.)
6×10−4 8×10−4
C30
triacontane
64741-75-9, 68783-08-4, 70592-76-6, 70592-77-7, 70592-78-8 450 (expt.) 65.8 (expt.) 4×10−9 9×10−9
C50 64741-75-9, 68333-22-2, 68478-17-1, 70592-78-8 548
(expt.)
88
(expt.)
2×10−7 8×10−7
Isoalkanes
Chemical class, name (CAS RN) HFO represented Boiling point (°C) Melting point
(°C)
Vapour pressure
(Pa)[b]
Sub-cooled
liquid vapour pressure
(Pa)[c]
C9
2,3-dimethylheptane
(3074-71-3)
68783-08-4 141
(expt.)
−116
(expt.)
1×103  
C15
2-methyltetra-
decane
(1560-95-8)
68783-08-4, 70592-76-6, 70592-77-7 250 1.5 5.8  
C20
3-methyl-
nonadecane
(6418-45-7)
68783-08-4, 70592-76-6, 70592-77-7, 70592-78-8 326  40 0.1 0.1
C30
hexamethyl-
tetracosane
(111-01-3)
64741-75-9, 68783-08-4, 70592-76-6, 70592-77-7, 70592-78-8 350 (expt.) −38 (expt.) 0.04  
C50 64741-75-9, 70592-78-8 548 289 1×10−13 1×10−9
One-ring cycloalkanes
Chemical class, name (CAS RN) HFO represented Boiling point (°C) Melting point
(°C)
Vapour pressure
(Pa)[b]
Sub-cooled
liquid vapour pressure
(Pa)[c]
C9
1,2,3-trimethyl-
cyclohexane
(1678-97-3)
68783-08-4 144
(expt.)
−66.9
(expt.)
649  
C15
nonylcyclo-
hexane
(2883-02-5)
68783-08-4, 70592-76-6, 70592-77-7 282
(expt.)
−10
(expt.)
1.2
(expt.)
 
C20
tetradecyl-
cyclohexane
(1795-18-2)
64741-75-9, 68783-08-4, 70592-76-6, 70592-77-7, 70592-78-8 360
(expt.)
24
(expt.)
0.02 0.02
C30
1,5-dimethyl-1-(3,7,11,15-tetramethyl-
octadecyl)-cyclohexane
64741-75-9, 68783-08-4, 70592-76-6, 70592-77-7, 70592-78-8 421 103 2×10−4 9×10−4
C50 64741-75-9, 68333-22-2, 68478-17-1 699 300 1×10-13 3×10-10
Two-ring cycloalkanes
Chemical class, name (CAS RN) HFO represented Boiling point (°C) Melting point
(°C)
Vapour pressure
(Pa)[b]
Sub-cooled
liquid vapour pressure
(Pa)[c]
C9
cis-bicyclo-
nonane
(4551-51-3)
68783-08-4 167
(expt.)
−53
(expt.)
320.0  
C15
2-isopenta-
decylin
68783-08-4 244 23 2.4  
C20
2,4-dimethyl-
octyl-2-decalin
68783-08-4, 70592-76-6, 70592-77-7, 70592-78-8 339 41 0.02 0.1
C30
2,4,6,10,14- pentamethyl-
dodecyl-
2-decalin
64741-75-9, 68783-08-4, 70592-76-6, 70592-77-7, 70592-78-8 420 106 0.0001 0.0009
C50 64741-75-9 687 300 1×10−13 3×10−10
Polycycloalkanes
Chemical class, name (CAS RN) HFO represented Boiling point (°C) Melting point
(°C)
Vapour pressure
(Pa)[b]
Sub-cooled
liquid vapour pressure
(Pa)[c]
C14
hydrophenanthrene
68783-08-4
70592-76-6
70592-77-7
255 21 4.5  
C18
hydrochrysene
68783-08-4
70592-76-6
70592-77-7
70592-78-8
316 66.4 0.004 0.03
C22
hydropicene
64741-75-9
68783-08-4
70592-76-6
70592-77-7
70592-78-8
365 117 0.003 0.002
One-ring aromatics
Chemical class, name (CAS RN) HFO represented Boiling point (°C) Melting point
(°C)
Vapour pressure
(Pa)[b]
Sub-cooled
liquid vapour pressure
(Pa)[c]
C9
ethylmethyl-
benzene
(25550-14-5)
68783-08-4 165.2 (expt.) −80.8
(expt.)
384.0
(expt.)
 
C15
2-nonyl-
benzene
(1081-77-2)
68783-08-4, 70592-76-6, 70592-77-7, 70592-78-8 281
(expt.)
−24
(expt.)
0.7
(expt.)
 
C20
tetradecyl-
benzene
64741-75-9, 68783-08-4, 70592-76-6, 70592-77-7, 70592-78-8 359
(expt.)
16
(expt.)
 0.008
(expt.)
0.003
C30
1-benzyl-4,8,12,16- tetramethyl-
eicosane
64741-75-9, 68783-08-4, 70592-76-6, 70592-77-7, 70592-78-8 437 131 1×10−5 1×10−4
C50 64741-75-9 697 304 1×10−13 3×10−11
Cycloalkane monoaromatics
Chemical class, name (CAS RN) HFO represented Boiling point (°C) Melting point
(°C)
Vapour pressure
(Pa)[b]
Sub-cooled
liquid vapour pressure
(Pa)[c]
C10
tetralin (tetrahydro- naphthalene)
(119-64-2)
68783-08-4 207.6 (expt.) -35.7 (expt.) 49.1 (expt.) 49.1 (expt.)
C15 68783-08-4, 70592-76-6, 70592-77-7, 70592-78-8 284.8 50.9 0.34 0.58
C20
ethyldodecahydro-chrysene
64741-75-9, 68783-08-4, 70592-76-6, 70592-77-7, 70592-78-8 351.3 115.7 0.00279 0.016
Two-ring aromatics
Chemical class, name (CAS RN) HFO represented Boiling point (°C) Melting point
(°C)
Vapour pressure
(Pa)[b]
Sub-cooled
liquid vapour pressure
(Pa)[c]
C15
4-isopropyl-
biphenyl
68783-08-4, 70592-76-6, 70592-77-7, 70592-78-8 308 44 0.06  
C20
2-isodecyl-
naphthalene
64741-75-9, 68783-08-4, 70592-76-6, 70592-77-7, 70592-78-8 373 99 0.0007 0.007
C30
2-(4,8,14,18-tetramethyl-
hexadecyl)-naphthalene
64741-75-9, 68783-08-4, 70592-76-6, 70592-77-7, 70592-78-8 469 171 7×10−7 2×10−5
C50 64741-75-9 722 316 1×10−13 6×10−12
Cycloalkane diaromatics
Chemical class, name (CAS RN) HFO represented Boiling point (°C) Melting point
(°C)
Vapour pressure
(Pa)[b]
Sub-cooled
liquid vapour pressure
(Pa)[c]
C12
acenaphthene
(83-32-9)
68783-08-4, 70592-76-6, 70592-77-7, 70592-78-8 279 (expt.) 93.4 (expt.) 0.287 (expt.) 1.36
C15
ethylfluorene
68783-08-4, 70592-76-6, 70592-77-7, 70592-78-8 321 89.5 0.02 0.085
C20
isoheptylfluorene
64741-75-9, 68783-08-4, 70592-76-6, 70592-77-7, 70592-78-8 374 119 0.001 0.005
Three-ring aromatics
Chemical class, name (CAS RN) HFO represented Boiling point (°C) Melting point
(°C)
Vapour pressure
(Pa)[b]
Sub-cooled
liquid vapour pressure
(Pa)[c]
C15
2-methyl-
phen-
anthrene
(2531-84-2)
68783-08-4, 70592-76-6, 70592-77-7, 70592-78-8 350
(expt.)
65
(expt.)
0.009  
C20
2-isohexyl-phenanthrene
64741-75-9, 68783-08-4, 70592-76-6, 70592-77-7, 70592-78-8 398 129 0.0001 0.002
C30
2-(2,4,10-trimethyl-
tridecyl)-phenanthrene
64741-75-9, 68783-08-4, 70592-76-6, 70592-77-7, 70592-78-8 493 191.6 10×10−8 6×10−6
C50 64741-75-9 746 349 1×10−13 1×10−12
Four-ring PAHs
Chemical class, name (CAS RN) HFO represented Boiling point (°C) Melting point
(°C)
Vapour pressure
(Pa)[b]
Sub-cooled
liquid vapour pressure
(Pa)[c]
C16
fluoranthene
64741-75-9, 68783-08-4, 70592-76-6, 70592-77-7, 70592-78-8 384
(expt.)
107.8 (expt.) 1×10−3
(expt.)
8×10−3
C20
benzo[k]-fluoranthene
64741-75-9, 68783-08-4, 70592-76-6, 70592-77-7, 70592-78-8 480
(expt.)
217
(expt.)
1×10−7
(expt.)
1×10−5
Five-ring PAHs
Chemical class, name (CAS RN) HFO represented Boiling point (°C) Melting point
(°C)
Vapour pressure
(Pa)[b]
Sub-cooled
liquid vapour pressure
(Pa)[c]
C20
benzo[a]-pyrene
(50-32-8)
64741-75-9, 68783-08-4, 70592-76-6, 70592-77-7, 70592-78-8 495
(expt.)
177
(expt.)
7×10−7 2×10−5
C30
dimethyl-
octylbenzo[a]-
pyrene
64741-75-9
70592-76-6, 70592-77-7, 70592-78-8
545 231 2×10−9 3×10−7
Six -ring PAHs
Chemical class, name (CAS RN) HFO represented Boiling point (°C) Melting point
(°C)
Vapour pressure
(Pa)[b]
Sub-cooled
liquid vapour pressure
(Pa)[c]
C22
benzo[ghi]-perylene
(191-24-2)
68783-08-4, 70592-76-6, 70592-77-7, 70592-78-8 greater than 500 (expt.) 278
(expt.)
1×10−8
(expt.)
4×10−6
(expt.)

Table A2.4 cont. Physical-chemical properties for representative structures of HFOs[a]

Alkanes
Chemical class, name (CAS RN) HFO represented Henry’s Law constant (Pa·m3/mol)[d] Log K ow Log K oc Aqueous solubility
(mg/L)[e]
Sub-cooled
liquid solubility
(mg/L)[f]
C9
n-nonane
(111-84-2)
68783-08-4 3×105
(expt.)
5.7
(expt.)
3.0 0.2
(expt.)
 
C15
pentadecane
(629-62-9)
68783-08-4, 70592-76-6, 70592-77-7, 70592-78-8 1×106
(expt.)
7.7 4.6 8×10−5
(expt.)
 
C20
eicosane
(112-95-8)
68783-08-4, 70592-76-6, 70592-77-7, 70592-78-8 113 10 5.9 0.002
(expt.)
0.002
(expt.)
C30
triacontane
64741-75-9, 68783-08-4, 70592-76-6, 70592-77-7, 70592-78-8 3×104 15 13 5×10−11 2×10−10
C50 64741-75-9, 68333-22-2, 68478-17-1, 70592-78-8   25 14 5×10−21  
Isoalkanes
Chemical class, name (CAS RN) HFO represented Henry’s Law constant (Pa·m3/mol)[d] Log K ow Log K oc Aqueous solubility
(mg/L)[e]
Sub-cooled
liquid solubility
(mg/L)[f]
C9
2,3-dimethyl-heptane
(3074-71-3)
68783-08-4 4.3×104 4.6 2.8 3.1  
C15
2-methyltetra-
decane
(1560-95-8)
68783-08-4, 70592-76-6, 70592-77-7 4×105 7.6 4.5 0.003  
C20
3-methyl-
nonadecane
(6418-45-7)
68783-08-4, 70592-76-6, 70592-77-7, 70592-78-8 276 10 5.8 1×10−5 0.13
C30
hexamethyl-
tetracosane
(111-01-3)
64741-75-9, 68783-08-4, 70592-76-6, 70592-77-7, 70592-78-8 2×109 15 13 2×10−10 5×10−11
C50 64741-75-9, 70592-78-8     13.8 6×10−21 3×10−18
One-ring cycloalkanes
Chemical class, name (CAS RN) HFO represented Henry’s Law constant (Pa·m3/mol)[d] Log K ow Log K oc Aqueous solubility
(mg/L)[e]
Sub-cooled
liquid solubility
(mg/L)[f]
C9
1,2,3-trimethyl-
cyclohexane
(1678-97-3)
68783-08-4 2×104 4.4 2.9 4.6  
C15
nonylcyclo-
hexane
(2883-02-5)
68783-08-4, 70592-76-6, 70592-77-7 6×104 7.5 4.6 0.004
(expt.)
 
C20
tetradecyl-
cyclohexane
(1795-18-2)
64741-75-9, 68783-08-4, 70592-76-6, 70592-77-7, 70592-78-8 63 9.9 5.9 1×10−5 0.1
C30
1,5-dimethyl-1-(3,7,11,15-tetramethyl-
octadecyl)- cyclohexane
64741-75-9, 68783-08-4, 70592-76-6, 70592-77-7, 70592-78-8 2×108 14.5 13 3×10−10 2×10−9
C50 64741-75-9, 68333-22-2, 68478-17-1   25 14 2×10–21  
Two-ring cycloalkanes
Chemical class, name (CAS RN) HFO represented Henry’s Law constant (Pa·m3/mol)[d] Log K ow Log K oc Aqueous solubility
(mg/L)[e]
Sub-cooled
liquid solubility
(mg/L)[f]
C9
cis-bicyclo-
nonane
(4551-51-3)
68783-08-4 2×103 3.7 3.0 19.3  
C15
2-isopenta-
decylin
68783-08-4 2×104 6.6 4.6 0.03  
C20
2,4-dimethyl-
octyl-2-decalin
68783-08-4, 70592-76-6, 70592-77-7, 70592-78-8 1935 9.0 5.9 9×10−15 0.02
C30
2,4,6,10,14- pentamethyl-dodecyl-
2-decalin
64741-75-9, 68783-08-4, 70592-76-6, 70592-77-7, 70592-78-8 4×107 13.6 12 2×10−9 1×10−8
C50 64741-75-9   24 14 5×10−20  
Polycycloalkanes
Chemical class, name (CAS RN) HFO represented Henry’s Law constant (Pa·m3/mol)[d] Log K ow Log K oc Aqueous solubility
(mg/L)[e]
Sub-cooled
liquid solubility
(mg/L)[f]
C14
hydro-phenanthrene
68783-08-4
70592-76-6
70592-77-7
8×103 5.2 4.4 0.5  
C18
hydrochrysene
68783-08-4
70592-76-6
70592-77-7
70592-78-8
6×103 6.2 5.3 0.03  
C22
hydropicene
64741-75-9
68783-08-4
70592-76-6
70592-77-7
70592-78-8
4×103 7.3 6.3 0.002  
One-ring aromatics
Chemical class, name (CAS RN) HFO represented Henry’s Law constant (Pa·m3/mol)[d] Log K ow Log K oc Aqueous solubility
(mg/L)[e]
Sub-cooled
liquid solubility
(mg/L)[f]
C9
ethylmethyl-benzene
(25550-14-5)
68783-08-4 324 3.6 (expt.) 3 74.6
(expt.)
 
C15
2-nonyl-
benzene
(1081-77-2)
68783-08-4, 70592-76-6, 70592-77-7, 70592-78-8 4225 7.1
(expt.)
4.6 0.04  
C20
tetradecyl-
benzene
64741-75-9, 68783-08-4, 70592-76-6, 70592-77-7, 70592-78-8 49 8.9 5.9 4×10−4 0.02
C30
1-benzyl-4,8,12,16- tetramethyl-
eicosane
64741-75-9, 68783-08-4, 70592-76-6, 70592-77-7, 70592-78-8 7.0×105 13.5 12 7×10−9 8×10−8
C50 64741-75-9   24 14 2×10−19  
Cycloalkane monoaromatics
Chemical class, name (CAS RN) HFO represented Henry’s Law constant (Pa·m3/mol)[d] Log K ow Log K oc Aqueous solubility
(mg/L)[e]
Sub-cooled
liquid solubility
(mg/L)[f]
C10
tetralin (tetrahydro- naphthalene)
(119-64-2)
68783-08-4 138 (expt.) 3.5 (expt.) 3.2 47 (expt.) 6.6×10−6
C15
methyl-octahydro-phenanthrene
68783-08-4, 70592-76-6, 70592-77-7, 70592-78-8 939 5.4 4.4 0.37 1.8×10−9
C20
ethyl-dodecahydro-chyrsene
64741-75-9, 68783-08-4, 70592-76-6, 70592-77-7, 70592-78-8 1710 6.9 5.7 0.00274 4×10−10
Two-ring aromatics
Chemical class, name (CAS RN) HFO represented Henry’s Law constant (Pa·m3/mol)[d] Log K ow Log K oc Aqueous solubility
(mg/L)[e]
Sub-cooled
liquid solubility
(mg/L)[f]
C15
4-isopropyl-
biphenyl
68783-08-4, 70592-76-6, 70592-77-7, 70592-78-8 24 5.5 4.6 0.7  
C20
2-isodecyl-
naphthalene
64741-75-9, 68783-08-4, 70592-76-6, 70592-77-7, 70592-78-8 420 8.1 5.9 0.002 0.005
C30
2-(4,8,14,18-tetramethyl-
hexadecyl)-naphthalene
64741-75-9, 68783-08-4, 70592-76-6, 70592-77-7, 70592-78-8 10×103 12.8 11 3×10−8 8×10−7
C50 64741-75-9   23 13.9 1×10−18  
Cycloalkane diaromatics
Chemical class, name (CAS RN) HFO represented Henry’s Law constant (Pa·m3/mol)[d] Log K ow Log K oc Aqueous solubility
(mg/L)[e]
Sub-cooled
liquid solubility
(mg/L)[f]
C12
acenaphthene
(83-32-9)
68783-08-4, 70592-76-6, 70592-77-7, 70592-78-8 5.95 3.92 (expt.) 3.70 2.534 1.30×10−6
C15
ethylfluorene
68783-08-4, 70592-76-6, 70592-77-7, 70592-78-8 24.8 5.05 4.45 0.198 9.7×10−9
C20
isoheptyl-fluorene
64741-75-9, 68783-08-4, 70592-76-6, 70592-77-7, 70592-78-8 102 7.44 5.68 0.0009 1.47×10−9
Three-ring aromatics
Chemical class, name (CAS RN) HFO represented Henry’s Law constant (Pa·m3/mol)[d] Log K ow Log K oc Aqueous solubility
(mg/L)[e]
Sub-cooled
liquid solubility
(mg/L)[f]
C15
2-methyl-
phen-
anthrene
(2531-84-2)
68783-08-4, 70592-76-6, 70592-77-7, 70592-78-8 6.5 4.9
(expt.)
4.5 0.3
(expt.)
 
C20
2-isohexyl- phenanthrene
64741-75-9, 68783-08-4, 70592-76-6, 70592-77-7, 70592-78-8 10 7.4 5.9 8×10−4 0.05
C30
2-(2,4,10-trimethyl-
tridecyl)- phenanthrene
64741-75-9, 68783-08-4, 70592-76-6, 70592-77-7, 70592-78-8 3×103 12 10 1×10−8 5×10−7
C50 64741-75-9   22 14 5×10−19 8×10−16
Four-ring PAHs
Chemical class, name (CAS RN) HFO represented Henry’s Law constant (Pa·m3/mol)[d] Log K ow Log K oc Aqueous solubility
(mg/L)[e]
Sub-cooled
liquid solubility
(mg/L)[f]
C16
fluoranthene
64741-75-9, 68783-08-4, 70592-76-6, 70592-77-7, 70592-78-8 0.9
(expt.)
5.2 4.5 0.26
(expt.)
 
C20
benzo[k]-fluoranthene
64741-75-9, 68783-08-4, 70592-76-6, 70592-77-7, 70592-78-8 2.1×10-2 6.1
(expt.)
5.3 0.0008
(expt.)
 
Five-ring PAHs
Chemical class, name (CAS RN) HFO represented Henry’s Law constant (Pa·m3/mol)[d] Log K ow Log K oc Aqueous solubility
(mg/L)[e]
Sub-cooled
liquid solubility
(mg/L)[f]
C20
benzo[a]-pyrene
(50-32-8)
64741-75-9, 68783-08-4, 70592-76-6, 70592-77-7, 70592-78-8 5×10−5 6
(expt.)
6.7 0.002 0.1
C30
dimethyl-
octylbenzo[a]-
pyrene
64741-75-9
70592-76-6, 70592-77-7, 70592-78-8
5.1 10.9 9.5 1×10−7 1×10−5
Six -ring PAHs
Chemical class, name (CAS RN) HFO represented Henry’s Law constant (Pa·m3/mol)[d] Log K ow Log K oc Aqueous solubility
(mg/L)[e]
Sub-cooled
liquid solubility
(mg/L)[f]
C22
benzo[ghi]-perylene
(191-24-2)
68783-08-4, 70592-76-6, 70592-77-7, 70592-78-8 3×10−3 6.6 5.8 0.00026
(expt.)
 
[a] All values are modelled unless denoted with an (expt.) for experimental data.
[b] This is the maximum vapour pressure of the surrogate; the actual vapour pressure as a component of a mixture will be lower due to Raoult’s Law (the total vapour pressure of an ideal mixture is proportional to the sum of the vapour pressures of the mole fractions of each individual component). The lightest C9 and heaviest C50 representative structures were chosen to estimate a range of vapour pressures from the minimum to maximum values.
[c] Estimated sub-cooled liquid vapour pressures were obtained from AEROWIN (Version 1.01) in EPI Suite (2008). Sub-cooled liquid vapour pressures were only estimated for components determined to be solid at 25°C (i.e., greater than or equal to  C20).
[d] Henry’s Law constants for C20–C30 representative structures were calculated with HENRYWIN Version 3.10 from EPI Suite (2008), using both sub-cooled liquid solubility and sub-cooled liquid vapour pressure. Henry’s Law constants for C50 representative structures were not calculated, as sub-cooled liquid solubility data were not available. Solubility data gave anomalously high values for substances that have negligible solubility and volatility.
[e] Maximum water solubility was estimated for each surrogate based on its individual physical-chemical properties. The actual water solubility of a component in a mixture will be lower, as the total water solubility of an ideal mixture is proportional to the sum of the water solubilities of the mole fractions of each individual component (Banerjee 1984).
[f] Estimated sub-cooled liquid solubilities were obtained from the CONCAWE1462 database within PETROTOX (2009). The estimates contained within the database were calculated using the SPARC Performs Automated Reasoning in Chemistry (SPARC 2009). Sub-cooled liquid solubility values were only estimated for components determined to be solid at 25°C (i.e., greater than or equal to C20). Sub-cooled liquid solubility data were not available for the C50 components.

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Appendix 3: Measures designed to prevent, minimize or manage unintentional releases

For the Canadian petroleum industry, requirements at the provincial/territorial level typically prevent or manage the unintentional releases of petroleum substances and streams within a facility through the use of operating permits (SENES 2009).

At the federal level, unintentional releases of some petroleum substances are addressed under the Petroleum Refinery Liquid Effluent Regulations and guidelines in the Fisheries Act (Canada 2010). These regulations set the discharge limits of oil and grease, phenol, sulfides, ammonia nitrogen and total suspended matter, and lay out testing requirements for acute toxicity in the final petroleum effluents entering Canadian waters.

Additionally, existing occupational health and safety legislation specifies measures to reduce occupational exposures of employees, and some of these measures also serve to reduce unintentional releases (CanLII 2009).

Non-regulatory measures (e.g., guidelines, best practices) are also in place at petroleum sector facilities to reduce unintentional releases. Such control measures include appropriate material selection during the design and setup processes; regular inspection and maintenance of storage tanks, pipelines and other process equipment; the implementation of leak detection and repair or other equivalent programs; the use of floating roofs in above-ground storage tanks to reduce the internal gaseous zone; and the minimal use of underground tanks, which can lead to undetected leaks or spills (SENES 2009).

Under the Canada Shipping Act, 2001 (Canada 2001), releases of petroleum substances from marine loading and unloading and transportation are managed by pollution prevention and response provisions (Parts 8 and 9), including the establishment of pollution prevention plans and pollution emergency plans for any discharges during loading or unloading activities.

For those substances containing highly volatile components (e.g., low boiling point naphthas, gasoline), a vapour recovery system is generally implemented or recommended at loading terminals of Canadian petroleum facilities (SENES 2009). Such a system is intended to reduce evaporative emissions during handling procedures.

Intentional releases of petroleum products to Canadian marine waters have been regulated under the Canada Shipping Act, 2001 and the Migratory Birds Convention Act, 1994 to reduce the exposure of and hazard to seabirds through direct and indirect effects. The National Aerial Surveillance Program of Transport Canada was designed to monitor and deter such releases (Transport Canada 2010).

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Appendix 4: Release estimation of industry-restricted HFOs during transportation

Table A4.1. Reported and extrapolated release volumes and spill numbers of HFO spilled in Canada based on historical Bunker C spill data from the Environment Canada Spill Line database (2000–2009) (Environment Canada 2011)
Year Average spill volume (litres) Maximum single spill volume (litres) Median spill volume (litres) Number spills reported % of spills with unknown volume Total known volume spilled
(litres)
Extrapolated total volume spilled (litres)[1]
2009 12 592 98 000 636 16 43.8 113 330 162 834
2008 21 101 196 000 75 15 26.7 232 115 260 404
2007 27 000 222 460 200 27 22.2 566 995 609 428
2006 1197 15 000 261 32 25.0 28 726 85 303
2005 6351 127 184 227 52 36.5 209 599 343 969
2004 7523 98 000 182 39 30.8 203 131 287 997
2003 4230 79 490 132 43 34.9 118 438 224 520
2002 2325 60 000 227 58 27.6 97 662 210 815
2001 3182 65 000 216 32 18.8 82 744 125 177
2000 2083 27 822 95 25 28.0 37 491 86 995
Total volume spilled 1 690 231 2 397 441
[1] The extrapolated total volume was calculated using a proportional estimate of known spills to determine the frequency and volume of unknown spill volumes, assuming that the distribution of reported volumes released was representative of all releases.
Table A4.2a. Sources of HFO releases based on Bunker C spill data in Canada, 2000–2009 (Environment Canada 2011)
Source Total spills Volume spilled (L) Proportion of total volume Average volume spilled (L)
Other watercraft 43 416 759 0.247 14 371
Pipeline 13 333 431 0.197 33 343
Marine tanker 9 323 523 0.191 40 440
Other 46 156 374 0.093 4739
Other industrial plant 44 133 540 0.079 3257
Marine terminal 16 132 093 0.078 12 008
Train 11 61 304 0.036 10 217
Tank truck 21 37 431 0.022 2202
Refinery 23 31 904 0.019 1679
Other storage facilities 22 28 945 0.017 1809
Unknown 36 9294 0.005 774
Storage depot 7 6550 0.004 936
Transport truck 5 5150 0.003 1030
Barge 8 5018 0.003 1004
Bulk carrier 12 3805 0.002 951
Chemical plant 2 2270 0.001 2270
Electrical equipment 7 1274 0.001 182
Other motor vehicle 6 1129 0.001 282
Production field 4 418 0.000 139
Migration 2 20 0.000 20
Municipal sewer 1  NA[a] NA NA
Service station 1  NA NA  NA
Total 339 1 690 232 1 6583
[a] NA: Data not available.
Table A4.2b. Causes of HFO releases based on Bunker C spill data in Canada, 2000–2009 (Environment Canada 2011)
Cause Total spills Volume spilled (L) Proportion of volume Average volume spilled (L)
Pipe leak 74 644 515 0.381 10 742
Unknown 72 414 993 0.246 11 216
Sinking 5 222 860 0.132 111 430
Other 47 141 964 0.084 4302
Grounding 7 98 980 0.059 32 993
Overflow 35 61 692 0.036 2056
Above-ground tank leak 19 51 597 0.031 3440
Valve, fitting leak 23 16 600 0.010 755
Container leak 21 11 267 0.007 751
Discharge 18 10 174 0.006 1130
Overturn 6 6637 0.004 1659
Process upset 3 4928 0.003 1643
Underground tank leak 2 2880 0.002 2880
Well blowout 2 500 0.000 250
Cooling system leak 2 443 0.000 221
Derailment 3 200 0.000 200
Total 339 1 690 232 1 11 604
Table A4.2c. Reasons for HFO releases based on Bunker C spill data in Canada, 2000–2009 (Environment Canada 2011)
Reason Total spills Volume spilled (L) Proportion of volume Average volume spilled (L)
Unknown 119 721 969 0.427 10 617
Material failure 42 270 403 0.160 7726
Human error 56 263 605 0.156 5380
Other 29 196 316 0.116 10 332
Fire, explosion 1 98 000 0.058 98 000
Equipment failure 65 77 178 0.046 1642
Negligence 3 35 000 0.021 35 000
Gasket, joint 11 19 011 0.011 1728
Damage by equipment 4 5520 0.003 1840
Power failure 2 2270 0.001 2270
Migration 2 20 0.000 20
Intent 2 182 0.000 182
Corrosion 2 569 0.000 569
Weld, seam failure 1 190 0.000 190
Total 339 1 690 232 1 12 535

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