McKay, Donald. "Front matter" Multimedia Environmental Models ...

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Table 3.5 Physical Chemical properties of Selected Organic Chemicals at 25°C Including Estimated Half-Lives Classified as in Table 3.4 and Toxicity Expressed as Oral LD50 to the Rat. These data have been selected from a number of sources, including Mackay et al. (2000), RTECS (2000), and the Hazardous Substances Data Bank (2000). Degradation Half-lives (h) Molar Vapor Aqueous Chemical Name mass (g/mol) pressure (Pa) solubility (g/m3 Melting Rat oral LD50 ) Log KOW point ((C) Air Water Soil Sediment (mg/kg) benzene 78.11 12700 1780 2.13 5.53 17 170 550 1700 930 1,2,4-trimethylbenzene 120.2 270 57 3.6 –43.8 17 550 1700 5500 3550 ethylbenzene 106.2 1270 152 3.13 –95 17 550 1700 5500 5460 n-propylbenzene 120.2 450 52 3.69 –101.6 17 550 1700 5500 6040 styrene 104.14 880 300 3.05 –30.6 5 170 550 1700 2650 toluene 92.13 3800 515 2.69 –95 17 550 1700 5500 5000 nitrobenzene 123.11 20 1900 1.85 5.6 5 1700 1700 5500 349 2-nitrotoluene 137.14 17.9 651.42 2.3 –3.85 17 55 1700 5500 891 4-nitrotoluene 137.14 0.653 254.4 2.37 51.7 17 55 1700 5500 1960 2,4-dinitrotoluene 182.14 0.133 270 2.01 70 17 55 1700 5500 268 chlorobenzene 112.6 1580 484 2.8 –45.6 170 1700 5500 17000 1110 1,4-dichlorobenzene 147.01 130 83 3.4 53.1 550 1700 5500 17000 500 1,2,3-trichlorobenzene 181.45 28 21 4.1 53 550 1700 5500 17000 756 1,2,3,4-tetrachlorobenzene 215.9 4 7.8 4.5 47.5 1700 5500 5500 17000 1470 pentachlorobenzene 250.3 0.22 0.65 5 86 5500 17000 17000 17000 11000 hexachlorobenzene 284.8 0.0023 0.005 5.5 230 7350 55000 55000 55000 3500 fluorobenzene 96.104 10480 1430 2.27 –42.21 17 170 550 1700 4399 bromobenzene 157.02 552 410 2.99 –30.8 170 1700 5500 17000 2383 iodobenzene 204.01 130 340 3.28 –31.35 170 1700 5500 17000 1749 n-pentane 72.15 68400 38.5 3.45 –129.7 17 550 1700 5500 90000 n-hexane 86.17 20200 9.5 4.11 –95 17 550 1700 5500 30000 1,3-butadiene 54.09 281000 735 1.99 –108.9 5 170 550 1700 5480 1,4-cyclohexadiene 80.14 9010 700 2.3 –49.2 5 170 550 1700 130 ©2001 CRC Press LLC
Table 3.5 (continued) dichloromethane 84.94 26222 13200 1.25 –95 1700 1700 5500 17000 1600 trichloromethane 119.38 26244 8200 1.97 –63.5 1700 1700 5500 17000 1000 carbon tetrachloride 153.82 15250 800 2.64 –22.9 17000 1700 5500 17000 2350 tribromomethane 252.75 727 3100 2.38 –8.3 1700 1700 5500 17000 933 bromochloromethane 129.384 19600 14778 1.41 –87.95 550 550 1700 5500 5000 bromodichloromethane 163.8 6670 4500 2.1 –57.1 550 550 1700 5500 430 1,2-dichloroethane 98.96 10540 8606 1.48 –35.36 1700 1700 5500 17000 750 1,1,2,2-tetrachloroethane 167.85 793 2962 2.39 –36 17000 1700 5500 17000 200 pentachloroethane 202.3 625 500 2.89 –29 17000 1700 5500 17000 920 hexachloroethane 236.74 50 50 3.93 186.1 17000 1700 5500 17000 5000 1,2-dichloropropane 112.99 6620 2800 2 –100.4 550 5500 5500 17000 1947 1,2,3-trichloropropane 147.43 492 1896 2.63 –14.7 550 5500 5500 17000 505 chloroethene (vinyl chloride) 62.5 354600 2763 1.38 –153.8 55 550 1700 5500 500 trichloroethylene 131.39 9900 1100 2.53 –73 170 5500 1700 5500 4920 tetrachloroethylene 165.83 2415 150 2.88 –19 550 5500 1700 5500 2629 methoxybenzene 108.15 472 2030 2.11 –37.5 17 550 550 1700 3700 bis(2-chloroethyl)ether 143.02 206 10200 1.12 –46.8 17 550 550 1700 75 bis(2-chloroisopropyl)ether 171.07 104 1700 2.58 –97 17 550 550 1700 240 2-chloroethyl vinyl ether 106.55 3566 15000 1.28 –69.7 17 550 550 1700 210 bis(2-chloroethoxy)methane 173.1 21.6 8100 1.26 0 17 550 550 1700 65 1-pentanol 88.149 300 22000 1.5 –78.2 55 55 55 170 3030 1-hexanol 102.176 110 6000 2.03 –44.6 55 55 55 170 720 benzyl alcohol 108.14 12 80 1.1 –15.3 55 55 55 170 1230 cyclohexanol 100.16 85 38000 1.23 25.15 55 55 55 170 1400 benzaldehyde 106.12 174 3000 1.48 –55.6 5 55 55 170 1300 3-pentanone 86.135 4700 34000 0.82 –38.97 55 170 170 550 2410 2-heptanone 114.18 500 4300 2.08 –35 55 170 170 550 1670 cyclohexanone 98.144 620 23000 0.81 –32.1 55 170 170 550 1540 acetophenone 120.15 45 5500 1.63 19.62 550 170 170 550 815 ©2001 CRC Press LLC
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McKay, Donald. "Front matter" Multi
Page 3 and 4: Multimedia Environmental Models The
Page 5 and 6: hensive, and reliable, and they hav
Page 7 and 8: Chapter 1 Introduction Chapter 2 So
Page 9 and 10: McKay, Donald. "Introduction" Multi
Page 11 and 12: It is now evident that our task is
Page 13 and 14: McKay, Donald. "Some Basic Concepts
Page 15 and 16: give the derived units directly wit
Page 17 and 18: Energy (joule, J) The joule, which
Page 19 and 20: particles (aerosols), or biota in w
Page 21 and 22: Worked Example 2.1 A three-phase sy
Page 23 and 24: (i) What is the concentration (C) i
Page 25 and 26: Answer ©2001 CRC Press LLC 5.1 kg,
Page 27 and 28: or or When t is zero, C is zero, th
Page 29 and 30: What is the absolute minimum piscic
Page 31 and 32: ©2001 CRC Press LLC C 1 = C O/(1 +
Page 33 and 34: containing nonequilibrium quantitie
Page 35 and 36: 1. Fallout of chemical from air to
Page 37 and 38: validated using real environments.
Page 39 and 40: ©2001 CRC Press LLC CHAPTER 3 Envi
Page 41 and 42: of other, somewhat similar or homol
Page 43 and 44: Table 3.2 List of Chemicals Commonl
Page 45 and 46: elatively high concentrations. This
Page 47 and 48: exists between toxicologists and ch
Page 49 and 50: determine priority. This is a subje
Page 51 and 52: Another important classification of
Page 53: Figure 3.1 (continued) ©2001 CRC P
Page 57 and 58: Table 3.5 (continued) total PCB 326
Page 59 and 60: Figure 3.2 Plot of log K AW vs. log
Page 61 and 62: chlorofluoro compounds are very sta
Page 63 and 64: 3.3.2.7 Arsenic Compounds Arsenic,
Page 65 and 66: McKay, Donald. "The Nature of Envir
Page 67 and 68: Figure 4.1 Evaluative environments.
Page 69 and 70: are subject to two important deposi
Page 71 and 72: metals and organic chemicals from w
Page 73 and 74: carbon figure for deeper sediments
Page 75 and 76: flows. The quality of this groundwa
Page 77 and 78: Table 4.2 Evaluative Environments A
Page 79 and 80: McKay, Donald. "Phase Equilibrium"
Page 81 and 82: Figure 5.1 Some principles and conc
Page 83 and 84: likely using an equilibrium criteri
Page 85 and 86: Another useful quantity is the rati
Page 87 and 88: experimentally, but not directly, u
Page 89 and 90: ©2001 CRC Press LLC 5.3 PROPERTIES
Page 91 and 92: 1.0. This, then, is the fugacity or
Page 93 and 94: where ©2001 CRC Press LLC pH is -l
Page 95 and 96: In terms of solubilities, S iA and
Page 97 and 98: The temperature coefficient is the
Page 99 and 100: (1982), Baum (1997) and Leo (2000).
Page 101 and 102: Although it may appear environmenta
Page 103 and 104: Figure 5.4 Illustration of quantita
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5.5 ENVIRONMENTAL PARTITION COEFFIC
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C S = K PC W benzene = 1.1 ¥ 0.001
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Mackay (1986), in an attempt to sim
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Compartment Definition of Fugacity
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high concentration in the fish, but
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heat capacity of 0.38 J/g°C requir
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Therefore, ©2001 CRC Press LLC f =
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©2001 CRC Press LLC Z T = S(V i/V
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©2001 CRC Press LLC air Z = P S /R
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Table 5.1 Table 5.1 Summary of Defi
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Figure 5.7 Fugacity form 1 for dedu
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Calculate the following physical-ch
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©2001 CRC Press LLC CHAPTER 6 Adve
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that all water will spend 100 days
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This enables us to conceive of, and
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©2001 CRC Press LLC f = 15/0.5 = 3
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D AS dominates. A residence time of
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and Therefore, ©2001 CRC Press LLC
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eaction situation in which there is
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The rate constants in each case are
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©2001 CRC Press LLC 1/t O = SD Ai/
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e achieved in 10 days. Detractors o
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sulfate to sulfide or by dechlorina
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to Zepp and Cline (1977) for the or
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©2001 CRC Press LLC 6.7 LEVEL II C
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Figure 6.3 Fugacity Level II calcul
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McKay, Donald. "Intermedia Transpor
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Figure 7.1 Illustration of nonequil
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5. Diffusion within soils, and from
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sionally, the term flux rate is use
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©2001 CRC Press LLC N = ABDC/ Dy m
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no currents or eddies. In practice,
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diffusivity, and some unknown layer
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where ©2001 CRC Press LLC X = y/ U
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fraction of the total volume that i
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Figure 7.6 Mass transfer at the int
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partition coefficient. The signific
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and the series retains a similar ra
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ments of resuspension rates are par
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Figure 7.8 Movement of air phase (k
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ates can thus be used to estimate m
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Figure 7.9 Combination of D values
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Figure 7.10 Four-compartment Level
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Table 7.2 Order of Magnitude Values
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Unlike the Level II calculation, it
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Figure 7.12 Sample Level III output
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McKay, Donald. "Applications of Fug
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applications. Citations are given t
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Another approach is to employ Monte
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LEVEL1B A six-compartment Level I p
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Figure 8.1 Air-water exchange proce
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The total rates of transfer are thu
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Figure 8.2 Chemical transport and t
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mean. For chemical between depths o
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8.5.2 Process Description The water
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learn the benefits of using fugacit
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where Figure 8.5 QWASI model: stead
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are similar to those described by M
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C F ª Z Ff W ª 1.608 mol/m 3 ª 4
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y Mackay et al. (1983), and an appl
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accordingly, but the final solution
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Figure 8.10 Fish bioaccumulation pr
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The nature of the processes control
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iomagnification is more significant
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An alternative and more elegant met
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8.11.2 Model of a Chemical Evaporat
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Paterson et al. (1991), and Hung an
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8.14.1 Introduction ©2001 CRC Pres
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mated again in mg/day. Food, the ot
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models. Most interest is in LRT in
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available from the University of To
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McKay, Donald. "Appendix" Multimedi
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©2001 CRC Press LLC
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