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ANNEXU.K.

(2)

Appendix 1 Spreadsheet for computation of minimum volumes of water required for detection of test substances of different log POW values in aqueous phase

Assumptions:

  • Maximum volume of individual aliquots = 10 % of total volume; 5 aliquots = 50 % of total volume.

  • . In case of lower concentrations, larger volumes would be required.

  • Volume used for LOD determination = 100 ml.

  • log Pow vs. log Sw and log Pow vs. SR (Soct/Sw) are reasonable representations of relationships for test substances.

Estimation of Sw U.K.

log PowEquationlog SwSw (mg/l)
4 0,4963,133E+00
4,5 0,0351,084E+00
5 -0,4263,750E-01
5,5 -0,8871,297E-01
6 -1,3484,487E-02
6,5 -1,8091,552E-02
7 -2,275,370E-03
7,5 -2,7311,858E-03
8 -3,1926,427E-04

Estimation of Soct U.K.

log PowEquationSoct (mg/l)
4 3,763E+04
4,5 4,816E+04
5 6,165E+04
5,5 7,890E+04
6 1,010E+05
6,5 1,293E+05
7 1,654E+05
7,5 2,117E+05
8 2,710E+05
Total Mass test substance(mg)Massoct/MasswaterMassH2O(mg)ConcH2O(mg/l)Massoct(mg)Concoct(mg/l)
1 3195262,50172,63331 31726 333
1 6861 6641,01271,0661 68533 709
2 1585 2630,40990,43152 15743 149
2 76216 6440,16590,17472 76255 230
3 53552 6320,06720,07073 53570 691
4 5241664 360,02720,02864 52490 480
5 7905263 160,0110,01165 790115 807
7 4111 664 3570,00450,00477 411148 223
9 4865 263 1580,00180,00199 486189 713

Computation of volumes U.K.

Minimum volume required for H2O phase at each LOD concentration
log KowLOD (micrograms/l)→0,0010,010,11,010
40,040,383,838380
4,50,090,949,3894938
50,232,3223,182322 318
5,50,575,7357,265735 726
61,4114,151411 41514 146
6,53,534,953503 49534 950
78,6486,358648 63586 351
7,521,332132 13321 335213 346
852,715275 27152 711527 111
Volume used for LOD (l)0,1

Key to Computations U.K.

Represents < 10 % of total volume of aqueous phase, 1 litre equilibration vessel.

Represents < 10 % of total volume of aqueous phase, 2 litre equilibration vessel.

Represents < 10 % of total volume of aqueous phase, 5 litre equilibration vessel.

Represents < 10 % of total volume of aqueous phase, 10 litre equilibration vessel.

Exceeds 10 % of even the 10 liter equilibration vessel.

Overview of volumes required, as a function of water solubility and Log Pow

Minimum volume required for H2O phase at each LOD concentration (ml)

log PowSw (mg/l)LOD (micrograms/l)→0,0010,010,11,010
4100,010,121,1911,9118,99
50,020,242,3823,8237,97
30,040,43,9739,66396,62
10,121,1911,9118,991 189,86
4,550,020,22,0320,34203,37
20,050,515,0850,84508,42
10,11,0210,17101,681 016,83
0,50,22,0320,34203,372 033,67
510,090,878,6986,9869,01
0,50,171,7417,38173,81 738,02
0,3750,232,3223,18231,752 317,53
0,20,434,3543,45434,514 345,05
5,50,40,191,8618,57185,681 856,79
0,20,373,7137,14371,363 713,59
0,10,747,4374,27742,727 427,17
0,051,4914,85148,541 485,4314 854,35
60,10,636,3563,48634,86 347,95
0,051,2712,7126,961 269,5912 695,91
0,0252,5425,39253,922 539,1825 391,82
0,01255,0850,78507,845 078,3650 783,64
6,50,0252,1721,7217,022 170,2521 702,46
0,01254,3443,4434,054 340,4943 404,93
0,0069,0490,43904,279 042,6990 426,93
0,00318,09180,851 808,5418 085,39180 853,86
70,0067,7377,29772,897 728,8577 288,5
0,00315,46154,581 545,7715 457,7154 577,01
0,001523,19231,872 318,6623 186,55231 865,51
0,00146,37463,734 637,3146 373,1463 731,03
7,50,00219,82198,181 981,7719 817,73198 177,33
0,00139,64396,353 963,5539 635,47396 354,66
0,000579,27792,717 927,0979 270,93792 709,32
0,00025158,541 585,4215 854,19158 541,861 585 418,63
80,00133,88338,773 387,6833 876,77338 767,72
0,000567,75677,546 775,3567 753,54677 535,44
0,00025135,511 355,0713 550,71135 507,091 355 070,89
0,000125271,012 710,1427 101,42271 014,182 710 141,77
Volume used for LOD (l)0,1”