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1-Chloro-2-[2,2-dichloro-1-(4-chlorophenyl)vinyl]benzene
c1ccc(c(c1)C(=C(Cl)Cl)c2ccc(cc2)Cl)Cl
InChI=1S/C14H8Cl4/c15-10-7-5-9(6-8-10)13(14(17)18)11-3-1-2-4-12(11)16/h1-8H
ZDYJWDIWLRZXDB-UHFFFAOYSA-N
CSID:215802, http://www.chemspider.com/Chemical-Structure.215802.html (accessed 23:08, Apr 25, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 6.00 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 363.29 (Adapted Stein & Brown method) Melting Pt (deg C): 111.95 (Mean or Weighted MP) VP(mm Hg,25 deg C): 8.87E-006 (Modified Grain method) VP (exp database): 6.20E-06 mm Hg at 25 deg C Subcooled liquid VP: 4.49E-005 mm Hg (25 deg C, exp database VP ) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.07294 log Kow used: 6.00 (estimated) no-melting pt equation used Water Sol (Exper. database match) = 0.14 mg/L (25 deg C) Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.04 mg/L Wat Sol (Exper. database match) = 0.14 Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Vinyl/Allyl Halides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.52E-005 atm-m3/mole Group Method: Incomplete Exper Database: 1.85E-05 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 5.089E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.00 (KowWin est) Log Kaw used: -3.121 (exp database) Log Koa (KOAWIN v1.10 estimate): 9.121 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.0085 Biowin2 (Non-Linear Model) : 0.0001 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.7368 (recalcitrant) Biowin4 (Primary Survey Model) : 2.8570 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1537 Biowin6 (MITI Non-Linear Model): 0.0006 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.7612 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.00599 Pa (4.49E-005 mm Hg) Log Koa (Koawin est ): 9.121 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000501 Octanol/air (Koa) model: 0.000324 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0178 Mackay model : 0.0385 Octanol/air (Koa) model: 0.0253 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 7.4301 E-12 cm3/molecule-sec Half-Life = 1.440 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 17.275 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.515315 E-17 cm3/molecule-sec Half-Life = 2.224 Days (at 7E11 mol/cm3) Half-Life = 53.373 Hrs Fraction sorbed to airborne particulates (phi): 0.0282 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.556E+005 Log Koc: 5.192 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Rate constants can NOT be estimated for this structure! Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 3.917 (BCF = 8253) log Kow used: 6.00 (estimated) Volatilization from Water: Henry LC: 1.85E-005 atm-m3/mole (Henry experimental database) Half-Life from Model River: 58.26 hours (2.427 days) Half-Life from Model Lake : 785.1 hours (32.71 days) Removal In Wastewater Treatment: Total removal: 92.16 percent Total biodegradation: 0.77 percent Total sludge adsorption: 91.37 percent Total to Air: 0.02 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0907 21 1000 Water 1.57 4.32e+003 1000 Soil 48.3 8.64e+003 1000 Sediment 50.1 3.89e+004 0 Persistence Time: 8.7e+003 hr
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