appendix a chemical formulae of compounds cited …978-1-4613-9538-6/1.pdfappendix a chemical...

Appendix A Chemical Formulae of Compounds

Cited in this Book

NAME MOLECULAR FORMULA STRUCTURAL FORMULA

ACENAPHTHENE C 12 H 10 & 0-... 1/

ACENAPHTHYLENE CI2 He " " 00 1/ /

0

" ACETONE C3 H60 CH3-C-CH3

ACETYLENE He := CH

ACROLEIN C3 H4 0 CH2oCH-CH=O

CI

CI

ALDRIN CI2 He CI 6 CI

CI

OH

m-ALKYLPHENOLS RC 6 OH 5 0 0-... R

ALLYLALCOHOL C3 H6 0 CHz;::.CH-CHz-OH

m- AMINOPHENOL C6H7 NO 0 0-... NH 2

Appendix A 245


OH

m-AMYLPHENOL CII HI60 0 /- CHz - (CHzl, - CH,

ANILINE C6 H7 N 0 ANTHRACENE CI4 HIO CCCJ :0.... :0.... I /-

BENZ (A) ANTHRACENE CIS HI2

BENZENE C 6 HI2 0

BENZYLCHLORIDE C7 H7 CI Cr BENZO (B)

C20 HI2 FLUORANTHENE

BENZO (J) C20 HI2 FLUORANTHENE

BENZO (K) C20 HI2 FLUORANTHENE

BENZOFURAN C s H6 0 (IL] :0.... I I

COOH

BENZOIC ACID C7 H6 O2 en

246

NAME MOLECULAR FORMULA

iso-BUTANOL

BUTENE

BUTYLENE C4 Ha

1,4-BUTYLPHENOL C1O HI4 O

CAPROLACTAM C6 HII NO

CARBON TETRACHLDRIDE CCI 4 (Tetrachloromethane)

CARBONYL SULPHIDE COS

CAROTENE C40 H56

CHLORANIL C6 0 2CI 4

CHLORDANE C'OH 6 Cl a

Appendix A

STRUCTURAL FORMULA

~H.

CH.- ~-OH

CH.

CH.-CH.CH-CH.

OH

0 C(CH.).

~ 0

0 CI I

CI-C-CI I CI

s·c.o

0

Clt)C' CI CI

0

CI CI

C'~;(:t' Icci. CI

CI

Appendix A

NAME

BENZO (GHI) PERYLENE

BENZO(A)PYRENE

BENZO (E) PYRENE

BENZOTHIOPHENE

BICYCLOOCTANE

BISPHENOL A

BROMODICHLORtlMETHANE

BROMOETHYLPROPANE

BROMOFORM

BROMOMETHANE

MOLECULAR FORMULA

C20HI2

CeHsS

Ce HI4

CIS HIS 0 2

CHCI 2Br

Cs HII Br

CHBr 3

CH3 Br

247

STRUCTURAL FORMULA

CC> ~ ~

<t> o-CHU-HO '/ _ '\ i '/ _ '\ OH

CH,

H I

CI-C-Br I CI

Br I

H C-C-CH 'I '

C H2CH 3

H I

8r -c - Br I Br

H I

H-C-Br I H

248


CHLOROETHYLENE

CHLOROETHYLVINYLETHER C 4 H7 0CI

CHLOROFORM

CHLOROMETHANE

CHLOROMETHYLMETHYLETHER C2 HS 0 CI

CHLOROMETHYL GUAIACOL

CHLOROMETHYL PHENOL

CHLOROMETHYLVERATROLE C9 HII O2 CI

CHLORQNAPHTHALENE

o-CHLORONITROBENZENE Cs H4 CI N02

Appendix A

STRUCTURAL FORMULA

CI-CHZ-CHZ-O-CH; CH z

CI I

CI-C - H I CI

H I

H - C - H I CI

OH

CH3~

Y CI

CI

~ VJ

Appendix A


CHLORDENE

CHLORDENE EPOXIDE

CHLOROBENZENE

m-CHLOROBENZOIC ACID C7 H5 CIO Z

CHLOROBIPHENYL

CHLORODECANE

CHLORODIBENZOFURAN C IZ He OCI

CHLORODIBROMOMETHANE CH BrzCI

CHLORODIFLUOROMETHANE CH CI F z

CHLOROETHANE

249

STRUCTURAL FORMULA

<f' H ~,C'C~,

CI CI ~ H H

£/H CI~CI~:

CI CI H 0

COOH o VCI

o

H I

CI-C-Br I Or

H I

CI-C-F I F

H I

CH3-~-CI

H

250


o-CHLOROPHENOL

2 -CHLOROPROPANE

CHLOROPROPENE

CHRYSENE

CORONENE C24 H'2

CREOSOTE mixture of phenols

m-CRESOL C7 Ha O (methylphenol)

CYCLOHEPTANE C7 H'4

CYCLOHEXANE Cs H'2

CYCLOHEXANOL Cs H'2 0

Appendix A

STRUCTURAL FORMULA

OH

ACI o CI I

CH,-CH-CH,

CI-CH' CH-CH,

OH

0 /. CH ,

0

0 OH

0

Appendix A


CYCLOHEXANONE C6 HIOO

2.4- 0 (2.4- dichlorophenoxyacetic Ce H6 CI 2 0 3

acid)

OBH (4.4'-dichlorobenzhydrol) CI3 H10CI 2

o B P C H OCI (4.4'-dichlorobenzophenone) 13 e 2

OOA (4.4'-dichlorodiphenyl acetic Cl4HI002 CI 2

acid)

OOCN (4.4'-dichlorodiphenylacetonitrile) C 14 H 9 N CI 2

OOCO (dichloro diphenyl carbonyl) CI3 He OCI2

DOD (4.4'-dichlorodiphenyldichloroethane) CI4H tOC 14

251

STRUCTURAL FORMULA

o o o

CIQ 0- CHz- COOH CI

C10CHOHOCI

CI-<D-~ b ~ CI \_ 1~/r-- C'O I OH

H

C10+OCI CN

HCCI Z CIOCIHOCI

252


DOE (4,4'-dichlorodiphenyldichloroethylene) CI4 H 8 CI 4

DDM

(4,4'-dichlorodiphenylmethone )

DO M S C H CI (4,4'-dichlorodiphenylchloroethone) 14 1\ 3

DO M U (4,4'-dichlorodiphenylchloroethylene) CI4 Hg CI3

DONS ( 4,4' -dichlorodiphenylethone )

DDNU (4,4~dichlorodiphenylethylene )

DDT (4.4'-dichlorodiphenyltrichloroethone) CI4 Hg CI 5

o ECACHLOROBIPHENYL

DECAHYDRONAPHTHALENE

DIBENZ (A,H) ACRIDINE

Appendix A

STRUCTURAL FORMULA

CI -Q-CH2-Q- CI

CI -Q-TI-D- CI C-CI I H

hi cH' CI <:;-----DCI

CI CI CI CI

en H

Appendix A 253


rnBENZ(A,H)ANTHRACENE C22 HI4

DIBENZOFURAN CI2 He 0 ~ Br

p-DI BROMOBENZENE C6 H4 Br 2 0 Br

H

DIBROMOCHLOROMETHANE CHBr2CI I CI-C-Br

I Br

DIBROMOETHANE C2 H4 Br2 Sr -CH z -CH2-Br

DIBROMOMETHANE CH 2 Br2 Br - CHz- Sr

2,3 -DIBROMOTOLUENE CH 3 C6 H3 Br2 OBr

/- Br

OH

2,4-DIBUTYLPHENOL CI4 H22O I ' QC(CH,1

/.

C(CH,I,

CI

DICHLOBENIL C7 H3 CI 2 N QCN CI

CI

m-DICHLOROBENZENE C6 H4 CI 2 0 /. CI

254 Appendix A


DICHLOROBE NZOF URAN Ca H 3 CI 2 O ! I C'(JQ

c, '" 0

4,4'- DICHLOROBIPHENYL CI2 H a CI 2 c'-Q---Oc,

H , DICHLOROBROMOMETHANE CHCI 2 Br Br-C-CI

I CI

c,

DICHLOROCATECHOL C6 H4 O2 CI 2 CIO

'" OH

OH

F

DICHLORODIFLUOROMETHANE CCI 2 F2 I

F - C - CI I c,

DICHLOROETHANE C2 H4 CI 2 CI-yH-CH 3

CI

CI

DICHLOROETHYLENE C2 H2 CI 2 I

CH.' ~ CI

H I

DICHLOROFLUOROMETHANE CHCI 2 F F-C -CI , C,

CI

DICHLOROGUAIACOL C7 H6 0 2 CI 2 CIO

'" 1 OCH.

OH

DICHLOROMETHANE CH 2 CI 2

~ CI-C-H

( methylene chloride) I CI

Appendix A 255


DICHLOROMETHYL GUAIACOL CeH7 0 2CI 2 CIO

CI ::---- ' OCH,

OH

OH

01 C HLOROME THYLPH ENOL C7 HSOCI2 CH'OCI

::----' CI

CH,

DICHLOROMETHYLVERATROLE Cg H100 2 CI 2 CI¢C' ::---- OCH,

OCH 3

OH

2,3 - DICHLOROPHENOL Cs H4 OCI 2 (j( ::---- CI

1,2-DICHLOROPROPANE C 3 Hs CI2 ~H2-~H-CH3

CI CI

1,3-DICHLOROPROPENE C3 H4 CI 2 CI-CH"CH-CH.-CI

(d ichloropropylene 1

2,4-DICHLOROTHIOPHENOL CS H3 SHCI 2 (]ISH

CI ~, CI

CI

~CI DIELDRIN CI2 He Cis 0 o CCI.' CI

CI

OH

3,5 -[)IETHYLP!iENOL C'OH'4 O 0 Hs C2 C2 H S

OH

1,5-DIHYDRODIHYDROXY-BENZO C H 0 (Al PYRENE 20 14 2

OH

256 Appendix A


ETHYLENE OXIDE C2 H4 ° CHz - CH z "'0/

OH

m-ETHYLPHENOL Ce HloO G ",I C2 H5

CH,O\S

FENITROTHION C9 HI2 N0 5 PS ~-OQNO / _ 2 CH,O CH,

0& FLUORANTHENE C1sH 1O /'1 '" 1 '" '"

FLUORENE CI3 HIO CC)J /- '"

CI I

F LUOROTRICHLOROMETHANE CCI3F CI - C -CI I F

0

FORMALDEHYDE H CHO II

H- c- H

COOH

GLUCURONIC ACID Cs HI00 7 ~ OH OH OH

GLUTATHIONE CIO HI7 N3OSS H2 NCHCH2CH 2CONHCHCONHCH2COOH I I COOH CH2SH

GLYCERINE (GLYCEROL) C3 He 03 HOCH. CHOH CH2 0H

Appendix A 257


CI

CI~CH,OH

ENDOSUlFAN DIOl CgHeCI602 I CCI,

CI/~f'.,.CH OH I ' CI

CI

CI~CH'-O~ ENDOSUlFAN SULPHATE C9 H 6 CI6 0 4S I CCI, ..-/ so,

er/ I CH,-O

CI

CI

ENDRIN C'2 H e C1 6 0 CI$ft I CCI, CH 0 CI

CI

ENDRIN ALDEHYDE C'2 H6 CI 6 0 ")151: CI ~

CI ~I i. O

CI H

EPICHlOROHYDRIN C3 H5 OCI CH 2 - CH - CH2CI

"-0/

ETHANE C2 H6 CH, - CH,

ETHYlBENZENE Ce H,O O· ETHYLENE C2 H4 CH 2 =CH 2

ETHYLENE -I,I'':DIBROMIDE Br -CH 2 -CH 2 -Br

ETHYLENE DIAMINE

258 Appendix A


OH

2,4-DIMETHYL-3-ETHYLPHENOL (ITCH, CIO HI4 0 ::--,.1

(ethylxylenol ) C2HS CH,

OH

2,4-DIMETHYLPHENOL (XYLENOL) Cs HIO 0 (ITCH, ::--,.1

CH,

N0 2

DINITROBENZENE C6 H4N2 0 4 o-N02

OH

2,4 - DIN I TRO-6- METHYLPH ENOL C7 H6 05 N2 CH'ON02 ::--,.1

N02

OH

2,4- DINITROPHENOL C6 H4 N2 0 5 (r02

NO.

2,4-DINITROTOLUENE C7 H6 N2 0 4 QN02 I/-

N02

DIPHENYLISODECYL oc H

C22H31 P04 I • • PHOSPHATE ESTER CIO H21 0 - ~ - 0 c6 H5

° OH

p-DODECYLPHENOL CIS H300 (] (CH21" CH.

ENDOPEROXIDE CI6 HI4 0 2

CH.

CI

ENDOSULFAN C9 H6 CI9 03 S Icci. \+0 C'lOCO

CI d CI

Appendix A


1,4- OIHYOROXYANTHRAQUINONE Cl4 He 04

3,4- 01 HYOROXY-5-CHLOROTOLUENE C7 H70Z CI ( chloromethylcatechol )

01 HYOROXYOIHYDROALOR 1 N

1,3 - OIHYOROXINAPHTHALENE

2,3-0IHYOROXYTOLUENE (methyl catechol )

2,3-0IHYOROXY-I,4,5-TRICHLOROTOLUENE CrHsOzC1s

9.10- OIMETHYLANTH RACENE

9,10-0IMETHYLBENZ (A) ANTHRACENE CzoH I6

2,4-0tMETHYL-6-tert-BUTYLPHENOL CIZ HI80

7,14 -OIMETHYLOIBENZ (A, H ) ANTHRACENE

259

STRUCTURAL FORMULA

o OH

~ ~

o OH

CI~ YOH

OH

CI OH

CI~ Iccl. cH, CI

CI OH

OH

~ ~OH

o YOH

OH

CH. CI¢,I CI CI:o-.. OH

H

260 Appendix A


0 \I

METHYLETHYL KETONE C4 Ha O CH,- C - CH 2 CH,

OH

2-METHYL-4-ETHYLPHENOL Cg HI2 0 (J(H3 ~I

CH2CH 3

METHYL GUAIACOL Ca Hlo 0 2 6 ::--.... OCH 3

OH

1- METHYLNAPHTHALENE CII H IO 00 ~ I~

I-METHYLPHENANTHRENE CI5 HI2 on METHYLSTYRENE Cg H IO CH 3 -CH ~ CHO

METHYLVERATROLE CS H I2 0 2 6 ~ OCH 3

OCH 3 CI CI

MIREX CIO CI 12 CI

CI CI

NAPHTHALENE CIO Ha CO ~ ~

caOH

I-NAPHTHOIC ACID CII Ha 0 2 00 ~ I~

Appendix A


KETOENDRIN

MALEIC ANHYDRIDE

METHANE

9-METHYLA~THRACENE

3-METHYL-4-tert-BUTYLPHENOL CII HI60

METHYLCHLORIDE (chloromethane)

M ETHYL CHOLANTHRENE

5-METHYL-2,6-ditert-BUTYLPHENOL CI5 H240

M ETIiOX YCHLOR

METHYLENE CHLORIDE (dichloromethone )

261

STRUCTURAL FORMULA

CI

CI~

~'~ CI '1

CI 0

H I

H-C-H I H

~ H-C-CI

I H

H co ff\\~CH~OCH 3 ~-, ~ 3

H I

CI -C - H I CI

eel,

262


HEXANE Cs H 14

p-HEXYLPHENOL

HYDROGEN SULPHIDE

2 -HY DROXYBI PH ENYL

HYDROXYDIELDRIN

INDENO (1,2,3- cd) PYRENE

ISOPRENE

di -ISOPROPYLETHER

o-ISOPROPYLPHENOL

KETODIELDRIN

Appendix A

STRUCTURAL FORMULA

HHHHHH I I I I I I

H-C-C-C-C-C-C-H I I I I I I HHHHHH

H -S-H

Q-O OH

CI~CI Iccl, CH, 0

CI

CI OH

H I

H-C-H

~ I ~ ~ H-C~C-C~C-H

CI~CI 0 I CCI, CH,

CI

CI

Appendix A


HEPTACHLOR

HEPTACHLOR EPOXIDE

p-HEPTYLPHENOL

HEXACHLOROBENZENE

HEXACHLOROBIPHENYL

HEXACHLOROBUTADIENE

HEXACHLOROCYCLOHEXANE

HEXACHLOROCYCLOPENTADIENE C5 CI 6

HEXACHLOROETHANE

HEXADECANE

263

STRUCTURAL FORMULA

CI CI

CIJ$CD I CCl2 I CI

CI

CI~CI C~, Fi

fl CI CI 0

C I

H

OH

(D (CH2). CH,

CI

CI~CI CIV CI

CI

CUi C~' CI CI CI 'I '\ 'I '\ CI

- -

CI

CIOCI

CI CI CI

C I C I

CIQCI

CI CI

CI CI I I

CI-C-C-CI I I C I C I

264 Appendix A


NITROBENZENE C6 HSN02 0 OH

o-NITROPHENOL C6 H SN03 ONO. Ih

m-NITROTOLUENE C7 H7 N02 6 /. NO •

NONYLPHENOL mixture of 01 kyl phenols

OCTACHLOROBIPHENYL

CI CI CI

CIQ-O-CI

CI CI CI

CI CI

OCTACHLORONAPHTHALENE CI~CI

CI~CI CI CI

OCTADECANE

OCTANE C s HIs CH.(CH.,. CH.

OH

p-OCTYLPHENOL CI4 H22 0 0 CH.(CH.'. CH,

OXYCHLORDANE CS H6 CI 2 O 0- C1

CI

Appendix A 265


PARAFFIN Cn H 2n + 2

PARATHION CIO H 14 N05 P5 C.H50\~ -Q-

P-o 'I '\ NO.

C.H5 0 / -

OCH3

PENTACHLOROANISOLE C 7 H3 0 CI(rrCI

CI ~ CI

CI

CI

PENTACHLOROBENZENE C6 HCI 5 Cf' CI I /. CI

CI

CI

PENTACHLOROBIPHENYL CI2 H5 CI 5 Q-OCI

CI CI CI

CI CI I I

PENTACHLOROETHANE C 2 HCI 5 CI-C-C -CI I I H CI

OH

PENTACHLOROPHENOL C6 CI5 OH C'(f'

CI ~ CI

CI

PENTANE C5 HI2 Crl 3 -CH z -CHz-CHZ-CH!

OH

p-PENTYLPHENOL CII HI60 0 (CH.). CH.

PERYLENE C20 HI2

266 Appendix A


PHENANTHRENE CI4 H1O GO I~

OH

PHENOL C6 H 5 OH 0 OH

o-PHENYLPHENOL CI2 H1OO 0----0 0

PHOSGENE COCI 2 II C-CI I CI

CI

~ H CI

PHOTOALDRIN CI2 Ha CI 6 CI CI CI

CI ;m H CI

PHOTODIELDRIN CI2 Ha CI 6 0 CI

CI CI 0

0

PHTHALIC ANHYDRIDE Ca H4 0 3 00 I 0 "'-

II 0

PHYTOL C20H40O

NH.

PICLORAM C6 H3 CI 3 N20 2 CIOCI I 0 CI ~ ~- OH

N

PORHYRIN C4oH4aN6 Oa S2

Appendix A


PROPACHLOR

PROPYLENE C3 HS

PYRENE CI6 H 1O

QUINONE C6 H4 0 2

SALICYLIC ACID C7 H60 3

SILVEX C9 H7 CI 3 0 3

SODIUM DIOCTYL SULFOSUCCINATE CIgH3507 S Na

STYRENE

2,4,5-T [( 2,4,5 - trichlorophenoxy)

acetic aCid]

TERPENOIDS

267

STRUCTURAL FORMULA

Hz C ,CH-CH.

" ...-: &9 1...-: ...-:

0 II

0 II 0

COOH

(y0H ~I

CI CH3

CI QO-6H-COz H

CI

CI

CI VO-CHz-COOH

'4:

268


TETRABROMOBENZENE

TETRACHLOROBENZENE

TETRACHLOROBIPHENYL

TETRACHLOROCATECHOL

TETRACHLORODIBENZO-P-DIOXIN CI2 H4 CI4 O2

TETRACHLORODIBENZOFURAN

TETRACHLOROETHANE

TETRACHLOROETHYLENE

TETRAC,HLOROGUAIACOL

TETRACHLOROMETHANE ( corban tetrachloride)

Appendix A

STRUCTURAL FORMULA

~CI Vel

CI

CI CI

Q--O CI CI

CI

"'I CI(JICI

CI:o.... OH

OH

CIY:-Y0~CI

CI~O~CI CI

O::J)" CI I 1

:0.... 0 ./. CI

CI

CI- CH -CH-CI I I CI CI

CI CI I I

CI- C ~ C-CI

CI

CI~CI

CIYOCH,

OH

CI I

CI-C-CI I CI

Appendix A


TETRACHLOROPHENOL

T F M (trifluoromethylnitrophenollC 7 H4 F3 N03

THIOPHENOL

TOLUENE

TOXAPHENE

TRIBROMOBENZENE Cs H3 Br3

TRIBROMOMETHANE (bromoform) CH Br3

TRICHLOROBENZENE Cs H2 CI 3

TRICHLOROBIPHENYL CI2 H7 CI 3

269

STRUCTURAL FORMULA

OH

h CI

CIVCI CI

n SH o

~ Br-C-Br

I Sr

~CI VCI

CI CI

Q---D CI

270

NAME

TRICHLOROCATECHOL

TRICHLOROETHANE

TRICHLOROETHYLENE

TRICHLOROFLUOROMETHANE

TRICHLOROMETHANE (chloroform)

TRICHLOROMETHYL GUAIACOL

MOLECULAR FORMULA

TRICHLOROMETHYLVERATROLE Cg Hg O2 CI 3

TRICHLOROGUAIACOL

T R ICHLOROPHENOL

TRIMETHYL BENZENE

Appendix A

STRUCTURAL FORMULA

CI

CI~

CIYOH

OH

CI I

CI-C' CH-CI

F I

CI-C-CI I CI

H I

CI-C-CI I CI

CH,

Clhcl

CIVOCH, OH

CI

CI~

CIYOCH, OH

OH

~'t' vel CI

Appendix A 271


TRIMETHYLNAPHTHALENE CI3 HI4 oQ ::--.. 1 ~ CH 3 CH 3

OH TRIMETHYLPHENOL Cg HI2 0 yCH,

/. CH 3

C H, OH

TRINITROPHENOL C6 H3 N3 0 7 ONO.

::--.. NO. NO.

CH, O.NONO.

TRINITROTOLUENE C7 H5 N3 0 6 I~ NO.

VINYL CHLORIDE (chloroethylene)

C2 H3 CI H.C , CH -CI

VINYLIDENE CHLORIDE CI I

(dichloroethylene) C2 H2CI 2 H.C' C-CI

XYLENE Ce H ,O OCH, ::--..1

OH XYLENOL OCH, (dimethylphenol) Ce HIOO ::--..1

CH,

Appendix B Physical and Chemical Terms

Cited in This Book

Alkylation Transfer of an alkyl group (Cn H21l+ 1) to a metal atom Anthropogenic Any material originating from human activity Arylation Transfer of an aryl group (C6Hs) to a metal atom Chelator A ligand with more than one binding site Chromophore A chemical group that gives rise to color in a molecule Colloids Particles of size range 0.1-0.45 f.lm Complex A simple ligand with one binding site Concentration Factor (CF) Quotient relating concentrations of pollutant in

two different phases. For example, biota/water Conditional Stability Constant Stability constant valid for a given set of

conditions, such as pH, and ionic strength. cf Stability Constant Contamination Natural and/or man-induced adulteration of abiotic and/or

biotic substrates Cracking Decomposition of petroleum with heat, steam, or other agents I:DDT All DDT analogs combined Dehalogenation Loss of one or more halide atoms from a compound Desorption Release of surface bound pollutants from solid matrices Disproportionation Nonstoichiometric breakdown of a compound Eh Redox potential Evaporation Transport of a compound from the liquid phase to the gas

phase Fractionation Separation of a compound( s) into different physical and

chemical components Fulvic Acid An acid-alkali-soluble humic material, originating from the

breakdown of lignin and tannins

Appendix B

Glycoside Acetals derived from hydroxy compounds and sugars Halogenation Combination of Cl, Br, I, or F with a compound

273

Humic Acid An acid-insoluble component of humic material, with molecular weight greater than fulvic acid

Hydrolysis Interaction of a compound with hydrogen, hydroxyl radicals, or water molecules

IUPAC International Union of Pure and Applied Chemistry Koc Partition coefficient normalized to organic carbon Lactone Internal cyclic monoester of a hydroxycarboxylic acid Ligand A molecule containing a donor atom capable of forming a bond with

a metal Mercaptan Compounds resembling alcohols but having the oxygen of the

hydroxyl group replaced by sulfur Nucleophile Atoms or groups with an excess of nonbonding electrons

having an affinity for positively charged sites Parachor Molecular volume Partition Coefficient Distribution of a compound in different phases or

matrices (tissue, water, sediments, etc.) Photolysis Chemical decomposition by the action of radiant energy Photooxidation Oxidation induced by radiant energy Refracture Index Measure of the biodegradability of a compound Sorption Reversible binding of a pollutant to a solid matrix Substituted Compound Replacement of one or more hydrogen atoms with

other atoms or groups Unsubstituted Compound No replacement of hydrogen atoms with other

atoms Uptake Nonreversible accumulation of a pollutant Volatilization Transport of a compound from the surface of a liquid to the

gas phase Vapor Pressure Solubility of a compound in air from the liquid phase Xenobiotic Foreign substance in a living system

Appendix C Common and Scientific Names

of Fish Cited in This Book

Alewife Alosa pseudoharengus American shad Alosa sapidissima Atlantic cod Gadus morhua Atlantic salmon Salmo salar

Bass Micropterus sp. Black bullhead lctalurus melas Blenny Blennius pavo Bluefin tuna Thunnus thynnus Bluegill Lepomis machrochirus Brook trout Salvelinus jontinalis Brown bullhead lctalurus nebulosus Brown trout Salmo trutta

. Burbot Lota Iota

Carp Cyprinus carpio Channel catfish lctalurus punctatus Chinook salmon Oncorhynchus tshawytscha Coho salmon Oncorhynchus kisutch Cunner Tautogolabrus adspersus

Dolly varden Salve linus malma

Eel Anguilla anguilla

Appendix C

Fathead minnow Pimephales promelas Flounder Pleuronectes fiesus

Goldfish Carassius auratus Greenland halibut Reinhardtius hippoglossoides Gulf killifish Fundulus grandis Guppy Lebistes reticulata

Herring Clupea harengus

Lake trout Salvelinus namaycush Lake whitefish Coregonus clupeaformis Largemouth bass Micropterus salmoides Largescale sucker Catostomus macrocheilus Little skate Raja erinacea

Mosquito fish Gambusia affinis Mummichog Fundulus heteroclitus

Nase Chondrostoma nasus Northern squawfish Ptychocheilus oregonensis

Ocean perch Sebastes marinus

Pacific herring Clupea harengus pallasi Perch Perca fiuviatilis Pike Esox lucius Pilchard Sardina pilchardus Plaice Pleuronectes platessa

Rainbow trout Salmo gairdneri Roach Rutilus rutilus

Sheepshead minnow Cyprinodon variegatus Smallmouth bass Micropterus dolomieui Smelt Osmerus eperlanus Spottail shiner Notropis hudsonius Staghorn sculpin Leptocottus armatus Striped mullet MugU cephalus Sucker Castostomus sp. Surf smelt Hypomesus pretiosus

Tomcod Microgadus proximus

275

276

Walleye Stizostedion vitreum White perch Morone americana White sucker Castostomus commersoni Whiting Merlangius merlangus Winter flounder Pseudopleuronectes americanus

Yellow perch Perca flavescens

Appendix C

Appendix D Equations for the Evalution of

Physico-Chemical Fate Processes

D-I. Calculation of the aqueous solubility of an organic compound using Quayle's parachor value.

loglo (1/ S) = (1.50)· (Pr)· (1 02)-( 1.51)· (Ew )-1.0 1

where S = aqueous solubility in molal concentration, Pr = Quayle's parachor, and Ew = hydrophilic group factor. The validity of this equation was tested with 156 compounds of known solubility, and the correlation coefficient was found to be 0.962 (Moriguchi, 1975).

D-2. Calculation of vapor pressure by the equation of Weast (1974)

10glO P = (-0.2185 A/K) + B

where P = vapor pressure in torr, A = molar heat of vaporization, K = temperature in degrees Kelvin, and B = constant. For a given compound, values of A and B are constant over a moderate range of temperature. Values of A and B for several pollutants have been listed by Weast ( 1974) and can be used to calculate vapor pressures directly. Where A and B are not available and two or more vapor pressure values are given for temperatures bracketing 25 QC, this equation can be used to calculate A and B from the known two sets of ordered pairs (KI , PI) and (K2' P2). Then the constants A and B are substituted in the equation to calculate P at T = 298°K (=25°C).

D-3. Calculation of vapor pressure by the Clausius-Clapeyron equation

278 Appendix D

where P = vapor pressure in torr, 6.Hv = molal heat of vaporization, T= temperature in degrees Kelvin, R = gas law constant (1.99 cal! moleOK), and subscripts 1 and 2 refer to two different temperatures. The solution of this equation requires the knowledge of boiling point and heat of vaporization. Calculations from this equation provide only a rough estimate of vapor pressure.

D-4. Calculation of volatilization rate constant

where

and

Rv Cw = k" L = kg =

Hc= kg =

R T =

d[cw ] R = --- = k [c ]

v dt v W

1 k=-

v L

volatilization rate of a chemical, C (moles L-I hr- I) aqueous concentration of C (moles L- 1 (=M» volatilization rate constant (hr-I) depth (cm) mass transfer coefficient in the liquid phase (cm hr- I) Henry's law constant (torr M-1)

transfer coefficient in the gas phase (cm hr -I) gas constant (Iiter-atm-mole- I degree-I) and absolute temperature (degrees Kelvin).

In both phases,

ke =DRjae and kg = Dgjag

where D = diffusion coefficient and a = boundary layer thickness.

D-S. Calcl,llation of the volatilization loss of an organic compound

(J<;)env = (k~)Rab (~)env

where J<, = volatilization rate constant for the chemical (hr- I)

and Ie:, = oxygen reaeration constant (hr- I) in the laboratory or environment.

Appendix D 279

F or example, the quotient k;,/ ~ for benzene was independent of turbulence, salt concentration, temperature (4-50aC), and presence of surface active compounds (Smith et al., 1980).

D-6. Equations for electron and proton changes

Equations for Electron and Proton Changes

Concentration of proton, H

pH = - log [H]

High pH = low H+ activity and conversely

pH = pI(" when [A-] = [HA]

Ka = acid dissociation constant, HA ;=0 H+ + A-

Concentration of electron, E

PE = log [e-]

High PE = low c activity and conversely

[oxidized] PE = PEQ + log

[reduced]

PE = PEa when [oxidized] = [reduced]

PEQ = equilibrium potential

D-7. Calculation of the rate of hydrolysis of a chemical compound

de - - = kA [H+] [e] + kB [OH] [C) + kN [C)

dt

where kh = first-order hydrolysis rate constant at a specific pH; kA and kB = second-order acid and base hydrolysis constants, respectively; and kN = first-order hydrolysis rate constant for pH independent reaction.

D-8. Rate of disappearance of an organic compound by direct photolysis

de dt = Kp [C) = ka O[C]

where kp = first-order rate constant, ¢ = reaction quantum yield, and ka = rate constant for light absorption by the chemical that depends on the light intensity, chromaticity of light, and extinction coefficient of the chemical.

D-9. Rate of disappearance of an organic compound by indirect photolysis

280

de = k2 [C] [X] = k; [C]

dt

Appendix D

where k2 = second-order constant for the interaction between the chemical and the intermediate, X; for a photosensitized reaction the k; would be a combined term including the concentration of the excited state species and the quantum yields for the energy transfer to and subsequent reaction of the chemical. In any estimate of kp or k;, values of ka or [X] should be specific, taking into account the variation of the intensity of sunlight with time of the day, season, and latitude.

D-10. Rate of substrate utilization

de

dt Y (Y)

(CX) (CX) (Ks + C) = (kb)' (Ks + C)

where f.l = specific growth rate, X = biomass per unit volume, J.lm = maximum specific growth rate,Ks = concentration of the substrate to support half-maximum specific growth rate (0.5 J.lm), kb = substrate utilization constant or biodegradation constant, (=J.lm/Y), and Y= biomass produced from a unit amount of substrate consumed. These constants f.lm, Ks , and Y are dependent on the characteristics of the microbes, pH, temperature, and media.

D-ll. Reduced equation for the rate of substrate utilization

When the substrate concentration C ~ Ks , the equation D-IO reduces to:

de --=kX

dt b

This means that the biodegradation rate is first order with respect to all . biomass concentration and zero order with respect to chemical concentration.

D-12. Reduced equation for the rate of substrate utilization

In actual environmental situations for many pollutants, C< <Ks , hence equation D-IO becomes:

de (CX) = (kb)' -- = kb2 [C] [X]

dt (Ks)

where kb2 is a second-order rate constant.

Appendix D 281

D-13. Reduced equation for the degradation rate of a chemical

When the biomass concentration is relatively large compared with the pollutant concentration, the degradation rate is pseudo-first order and given by:

de -- = k'C

dt b

where k'b is the pseudo-first-order rate constant and dependent on the cell concentration (Xo).

D-14. Calculation of the half-life of a chemical under degradation

The half-life of the chemical under degradation (t\1 at a given Xo) will be

In 2 0.693 t =---

1/2 k X b2 0

where

(k'b = pseudo-first-order rate constant and Xo = cell concentration.)

D-15. Kinetic half-lives of chemicals

Half-lives of organic compounds are calculated from the respective rate constants and their dependence on physical parameters such as temperature.

For a first-order kinetic reaction, A1. products at a constant volume.

The rate of disappearance of A is given by:

dCA -dt = kj CA

where CA = concentration of A in moles L- I

t = time in appropriate units ~ = reaction rate for the process j in units of inverse time, and

dCA -- = rate of change of CA with time.

dt

282 Appendix D

Integrating the equation between the limits of to (initial time) and t, yields:

where CAo = initial concentration of CA at to. For CA = 0.5 CAO ' the half-life is given by:

_ 1 (2CAQ )

t\/2 - kj In (CAO )

or

t\/2 = 0.693 (:j) If all the transformation processes are expressed as a first-order or pseudo

first-order kinetic process, the net half-life for the chemical is given by:

References

Moriguchi, I. 1975. Quantitative structure-activity studies. I. Parameters relating to hydrophobicity. Chemical and Pharmaceutical Bulletin (Tokyo) 23:247-257.

Smith, J.H., D.C. Bomberger, Jr., and O.L. Haynes. 1980. Prediction of the volatilization rates of high-volatility chemicals from natural water bodies. Environmental Science and Technology 14:1332-1337.

Weast, RC. (Ed.). 1974. CRC handbook of chemistry and physics. 54th edition. CRC Press, Cleveland, Ohio, pp. 0-162-0-188.

Index

Aliphatic hydrocarbons, 16-42 accumulation, 28-33 air,28-29 algae, 33-36 alkanes, 16ff American Public Health Association,

29 aquatic plants, 30, 33 bacteria, 28 behavior, 21-28 biotransformation, 26 bromomethanes, 27, 34 Canadian production, 19-20 carbon tetrachloride, 17, 22-23 carcinogens, 29-30, 37-38 chlorinated ethanes, 17ff chlorinated ethylenes, 17ff chlorinated methanes, 18ff chlorination, 20-21, 26-27,29-30 concentration factor, 33 discharges, 20-23 drinking water, 29-30, 32, 37-38 epidemiology, 37 evaporation, 24 fish,30-37 gasoline additives, 29 groundwater, 29 half-life, 21, 25-26, 33 halogenation, 16 halomethanes, 19ff human health, 37-38

humic compounds, 26-27 hydrolysis, 24, 28 invertebrates, 34-36 larval fish, 34 monitoring, 34 municipal waste, 20 mutagens, 37-38 partition coefficient, 21,32 petroleum hydrocarbons, 20, 30 photolysis, 24-26, 28 photooxidation, 25 production, 16-22 pulp mills, 20 residues, 28-33 safety standards, 30 sediments, 21, 30 short-chain aliphatics, 27-28 sorption, 21 structure, 16 subacute effects, 34 suspended solids, 21 toxicity, 33-38 USA production, 17-19 uses, 16-22 vinyl chloride, 17,22-23 volatilization, 21, 24 wastewater, 20-23, 29 water; 29-30

Aromatic hydrocarbons, 43-87 Aromatic hydrocarbons, monocyclics,

43-66

284

Aromatic hydrocarbons (cont'd.) accumulation, 48, 49, 53-57 air,53-55 algae, 56-58 rukyl benzenes, 44,49 aquatic plants, 56-58 bacteria, 53-54 behavior, 47-53 benzene, 43ff biotransformations, 53, 54 bitumen, 47 Canadian production, 46 carcinogens, 61-62 chemical dumps, 56 chemical plants, 55 chlorinated benzenes, 43ff chlorination, 49, 55 chronic effects, 58-61 composition, 43 concentration factor, 50, 56-57, 59 discharges, 46-47 drinking water, 48 ethyl benzene, 44, 55 fish,57-61 groundwater, 48 half-life, 51-53, 59 human health, 61-62 hydrolysis, 51 invertebrates, 56-60 larval fish, 61 lipophilicity, 61 micro-organisms, 53-54 municipal waste, 47-48, 56 nitrobenzenes, 44 nitrotoluenes, 44 odor, 43. oxidation, 51 partition coefficient, 49-50 petroleum, 46 photolysis, 52-53 production, 43-46 rainfall, 53 residues, 48-49, 53-57, 61 sediments, 55-56 solubility, 47 sorption, 49 sublethal effects, 58-61 suspended solids, 49 toluene, 43-46

toxicity, 57-62 USA production, 43-46 uses, 43-46 vapor pressure, 51 volatilization, 51 wastewater, 46-49, 56 water, 55 xylene, 43-45

Index

Aromatic hydrocarbons, polycycIics, 67-87 accumulation, 74-79 air, 74 algae, 74, 76-77, 80-81 antagonism, 82 aquatic plants, 76-77, 80-81 atmospheric dissemination, 74,78 bacteria, 72,74 behavior, 69-73 biotransformation, 71-73 Canadian production, 68 carcinogens, 67, 73-74, 82-83 chemical properties, 67 chronic toxicity, 80, 82 combustion, 68, 74 composition, 67 concentration factor, 78-79 crude oil, 69 deposition, 74 discharges, 68-69 fish,78-82 fisheries resources, 78 fly ash, 68 forest fires, 68 half-life, 70, 78, 82 human health, 82-83 invertebrates, 78, 80-82 Iipophilicity, 82 metabolites, 73 micro-organisms, 71-73 mixed function oxidase, 72-73 molecular weight, 67, 70 monitoring, 74-7 5 municipal wastes, 68-69 mutagens, 73 oxidation, 71 partition coefficient, 79 petroleum hydrocarbons, 69 petroleum refmeries, 69 pertroleum sources, 74

Index

photolysis, 71 photolytic half-life, 70 photooxidation, 71 physical properties, 67 production, 67 residues, 74-79 seasonal variability, 76 sediments, 75-77 solubility, 69 sorption, 69-70 sources, 67 sublethal toxicity, 80, 82 synegism, 82 toxicity, 67, 80-83 uptake, 79 USA production, 68 uses, 67 vapor pressure, 69 volatilization, 70-71 waste treatment, 70 water, 74-75

Case studies, 218-220 Chemical formulas, 244-271 Chemical transformations, 8

dehalogenation, 8 halogenation, 8 hydrolysis, 8 photolysis, 8 redox behavior, 8

Chlorinated pesticides, 88-144 accumulation, 95, 99-105 air, 99 algae, 101, 105 application rate, 107 aquatic plants, JOl, 105 arctic, 99 Athabasca River, 92 bacteria, 97-98 behavior, 92-98 biotransformations, 97-98 birds, 108-109 biting fly control, 90, 92 blubber thickness, 109 Canadian consumption, 91 carcinogens, 109 chronic effects, 108-109 concentration factors, 103-104 deposition in lipids, 102, 104

developing nations, 100 discharges, 91-92 drift,91 dusts, 99 eggshell thinning, 108-109 embryotoxicity, 109 Europe, 91, 99-100 evaporation, 95 fish, 103-108 food chain, 102 half-life, 94-95, 101 human health, 109 hydrolysis, 95-96 hydrolytic rate, 95-96 invertebrates, 101, 105-107 Japan, 101 larval fish, 108 mammals, 108-109 metabolites, 94, 97-98 micro-organisms, 97-98 monitoring, 103-104 Niagara River, 91 occupational exposure, 109 oxidation, 96 partition coefficient, 92-93 peregrine falcons, 108 pH, 95,106 photodecomposition, 96 photolysis, 96 poisoning, 109 potable water, 100, 109 precipitation, 99 production, 89-91 regulatory controls, 89-90 reproduction, 108-109 residues, 99-105 run-off,91 sediments, 92-94, 101 sewage sludge, 97 solubility, 99 sorption, 92-94, 101 South Africa, 91 South California Bight, 101 sprays, 91, 99 structure, 88 sublethal effects, 108-109 suspended solids, 92 synthesis, 88-89 tolerance, 105

285

286

Chlorinated pesticides (cont'd.) toxicity; 105-109 transport, 91-92 uptake, 105 USA production, 89-90 uses, 89-91 vapor pressure, 94 volatilization, 94-95 water, 99-100

Dehalogenation, 10-11 Decision tree, 214-222

benchmark compounds, 222 case studies, 218-219 fish, 218, 221 halogenation, 216 partitIon patterns, 214-222 soil/sediment, 218 use patterns, 214, 220

Desorption, 6-7 Dioxin, see Polychlorinated

dibenzodioxins .

Fish names, 274-276

Halogenation, 10-11 dehalogenation, 10 half-life, 10 occurrence, 10

Hazard assessment, 234-241 assessment programs, 238-241 decision criteria, 240 expected exposure concentration,

234-235 exposure pathways, 235 no observed effect concentration,

234-235 sequential assessment, 236 toxicity, 236-240 use, 237

Hydrolysis, 9-10, 280 pH,9 rates, 10,280

Hydrolytic half-life, 10

Metabolic transformations, 13-14, 281-283

cofactors, 14 enzymatic transformations, 13

Index

half-life, 13, 282-283 rates, 13,281-282

Micro-organisms, 13-14 Monocyclic aromatic hydrocarbons,

43-66 Multidisciplinary studies, 1-3

Partition coefficient, 5-7, 9 definition, 5 desorption, 6 normalization, 7 sorption, 6-7

Partition profiles, 217, 219 Pesticides, 88-114 Petroleum hydrocarbons, 115-140

accumulation, 127-130 Alaska, 115, 130 Alberta, 117, 121, 125, 128 algae, 130-131 alkanes, 123, 129 animal metabolism, 125-127 aquatic plants, 123, 130-131 arctic 11 7, 124 132 aromatic hydrocarbons, 115-116,

122 aryl hydrocarbon hydroxylase, 126,

132 asphaltenes, 116 bacteria, 124-125 behavior, 122-127 biotransformations, 124-127 birds, 133-134 bitumen, 116, 120, 125 chemical properties, 115 chronic effects, 132, 134 coal, 116 components, 115 crude oil, 115, 118 cycloparaffms, 115-116 depuration, 129 discharges, 119-121 dispersants, 124 enzymes, 126-127, 132-134 excretion, 127 feeding habits, 129-130 feedstock chemicals, 118 fish, 128-130,132-133 fractions, 115 heavy metals, 116

Index

heavy oil, 116 human health, 134-135 invertebrates, 128-132 Lake Marcaibo, 130 mammals, 133-134 micro-organisms, 124-125, 128 mixed function oxidase (MFO), 125 Nigeria, 117 occurrence, 115 off-shore, 117 oil sands, 121 oil slicks, 119-120, 124 oil spills, 123-124, 127-128 oil tankers, 119-120 paraffins, 115-116, 131 Persian Gulf, 119-120 petroleum refmeries, 119 physical properties, 115 phytoplankton, 130-131 production, 116-119 reproduction, 132 reserves, 117 residues, 127-130 run-off, 120 Saskatchewan, 118 sediments, 125, 128 sorption, 122, 128-130 sublethal effects, 132-134 sulfur, 116 sulfur-bearing compounds, 116 suspended solids, 122 tainting, 134 tar balls, 123, 128 tar-sands, 120-121, 125 toxicity, 130-135 uses,.118-119 . volatilization, 123-124 wastewater, 119, 127-128 water, 127-128, 135 weathered oil, 123, 125, 128, 131

Phenols, 141-167 accumulation, 155-160 air, 155-156 algae, 157-158, 160-162 alkylphenols, 143-144 animal metabolism, 153-154 aquatic plants, 157-158, 160-162 bacteria, 152 behavior, 146-155

biotransformation, 152-155 Canadian production, 143 carcinogen, 164 chlorinated phenols, 142ff chronic toxicity, 162-163 concentration factor, 157-159 depuration, 158-159 desorption, 146 discharges, 144-145 drinking water, 164 feedstock chemicals, 144 fish, 159-160, 162-163 food chain, 159 fungi, 152 half-life, 158-160 human health, 163-164 hydrolysis, 149 industrial discharges, 144-145 invertebrates, 157,161-162 metabolic pathways, 153-154 microbial metabolism, 152 municipal discharges, 144-145, 156 mutagen, 164 nitrocresols, 144 nitrophenols, 143 nomenclature, 141 oxidation, 148 partition coefficient, 146, 148 pH, 147, 159, 163 photolysis, 149-152 photolytic products, 150-152 precipitation, 155-156 production, 142-143 rats, 153 residues, 155-160 sediments, 157 snow, 156 solubility, 147 sorption, 146-147 sublethal toxicity, 162-163 synthesis, 141 tainting, 146 TCDD contamination, 143 toxicity, 160-164 uptake, 157-159 USA production, 142 uses, 142-143 vapor pressure, 148 volatilization, 148

287

288

Phenols (cont'd.) wastewater, 144-145, 156 water, 156 world production, 142

Photolysis, 11-13,280-281 occurrence, 11 rates, 280-281 reactions, 11 spectral data, 12

Physical and chemical terms, 272-273 Physico-chemical processes, 3-14 Polychlorinated biphenyls, 168-191

accumulation, 180-184 air, 180-181 algae, 182, 185 animal metabolism, 176-178 aquatic plants, 182, 185 Aroc1or, 168ff Aroc1or formulations, 169 atmospheric transport, 181 bacteria, 180 behavior, 173-180 birds, 186 breakdown products, 175-179 Canadian production, 170 capacitors, 171-172 carcinogens, 186 chemical transformations, 174-175 chlorodibenzofurans, 175 dechlorination, 1 75 discharge limits, 171 discharges, 171-172 eggshell thinning, 186 evaporation, 174 fish, 183-186 fisheries resources, 183 food chain, 182-184 higher chlorinated biphenyls, 178 human health, 186 invertebrates, 182-183, 186 isomerization, 178 Japanese production, 170 juvenile,fish, 185-186 Kanec1ors, 169 lower chlorinated biphenyls, 174, 176 metabolic transformations, 176-180 microbial breakdown, 178-180 monitoring, 183-184 Monsanto, 168

PCB composition, 170 photolysis, 175-177 plasticizers, 171

Index

polychlorinated dibenzofurans, 169 precipitation, 181 production, 169-170 residues, 180-184 seasonal variability, 183-184 sediments, 174, 181-182 sewage, 174 solubility, 173 sorption, 174, 182-184 suspended solids, 182 synergism, 185 synthesis, 168 Toxic Substances Control Act, 171 toxicity, 185-186 transformers, 171 USA exports, 170 USA production, 169-170 uses, 170-172 vapor pressure, 174 volatilization, 174 wastewater, 181, 185-186 water, 181

Polychlorinated dibenzodioxins, 192-212

accumulation, 203-208 air,203-205 aryl hydrocarbon hydroxylase, 208 behavior, 195-203 benzofurans, 208 biotransformation, 201-203 Canadian discharge, 194-195 characteristics, 192 chloracne, 208 chlorophenols, 192-194 chronic toxicity, 208 combustion, 193, 195 concentration factors, 200, 207 2,4-D,195 dust, 203 feeding habits, 202 fish,206-208 food chain, 205 fly ash, 194-195,203 half-life, 200-202, 207 herring gulls, 207 industrial sources, 194

Index

invertebrates, 206 isomers, 192-193 larval fish, 208 mammalian toxicity, 208 microbial degradation, 201-203 models, 196-197 monitoring, 202 municipal incinerators, 195 partition coefficient, 196-198, 203 photolysis, 200-201 production, 192-195 rats, 201 residues, 203-208 run-off, 205 sediments, 196-197,205 Seveso, 203, 205 soils, 196,201,205 solubility, 197 sorption, 185 sources, 192 sublethal toxicity, 208 suspended solids, 199 2,4,5-T, 195 toxicity, 208 transport, 194 uses, 192 volatilization, 199 wastewater, 194, 207 water, 205 wood processing industries, 194

Polycyclic aromatic hydrocarbons, 67-87

Polynuclear aromatic hydrocarbons, 67-87

Prediction of fate processes, 228-234 biodegradation, 232-233 half-fife, 232 ' hydrolysis, 229 long term studies, 234

metabolism, 233 oxidation, 230 partition coefficient, 228-229 photolysis, 231 sorption, 228-229 synergism, 234 toxicity, 233-234 volatilization, 229

Prioritization of hazard, 213-241 bioconcentration factor, 225 chemical selection, 222-223 preliminary evaluation, 223-225

Quayle'S parachor, 5, 278

Redox behavior, 9, 280 definition, 9 rate, 9, 280

Screening models, 214, 241 Screening toxic chemicals, 225-228

benchmark compounds, 226-228 fate processes, 227 partition coefficient, 266-227 predictive methodology, 227

Solubility, 4-5, 277 determination, 4-5, 277 Quayle's parachor, 5

Sorption, 6-7

Testing protocols, 213-241

Vapor pressure,S, 277-278 calculation,S, 277-278 defmition, 5

Volatilization, 8, 279 definition, 8 rates, 8, 279

289

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