3,3',4,4'-Tetrachlorobiphenyl
c1cc(c(cc1c2ccc(c(c2)Cl)Cl)Cl)Cl
InChI=1S/C12H6Cl4/c13-9-3-1-7(5-11(9)15)8-2-4-10(14)12(16)6-8/h1-6H
UQMGJOKDKOLIDP-UHFFFAOYSA-N
CSID:33281, http://www.chemspider.com/Chemical-Structure.33281.html (accessed 05:55, Mar 29, 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) = 6.34 Log Kow (Exper. database match) = 6.63 Exper. Ref: DeBruijn,J et al. (1989) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 359.51 (Adapted Stein & Brown method) Melting Pt (deg C): 122.32 (Mean or Weighted MP) VP(mm Hg,25 deg C): 8.45E-006 (Modified Grain method) VP (exp database): 1.64E-05 mm Hg at 25 deg C Subcooled liquid VP: 0.00015 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): 0.02976 log Kow used: 6.63 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 0.000569 mg/L (25 deg C) Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.032245 mg/L Wat Sol (Exper. database match) = 0.00 Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.25E-004 atm-m3/mole Group Method: 2.23E-004 atm-m3/mole Exper Database: 0.94E-05 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.091E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.63 (exp database) Log Kaw used: -3.415 (exp database) Log Koa (KOAWIN v1.10 estimate): 10.045 Log Koa (experimental database): 9.700 Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.1211 Biowin2 (Non-Linear Model) : 0.0001 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.7275 (recalcitrant) Biowin4 (Primary Survey Model) : 2.7651 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0825 Biowin6 (MITI Non-Linear Model): 0.0023 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.3456 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): 0.02 Pa (0.00015 mm Hg) Log Koa (Exp database): 9.700 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00015 Octanol/air (Koa) model: 0.00123 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00539 Mackay model : 0.0119 Octanol/air (Koa) model: 0.0896 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.7301 E-12 cm3/molecule-sec Half-Life = 14.649 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00862 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4.482E+004 Log Koc: 4.651 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 = 5.025 (BCF = 1.059e+005) log Kow used: 6.63 (expkow database) Volatilization from Water: Henry LC: 9.4E-006 atm-m3/mole (Henry experimental database) Half-Life from Model River: 108.2 hours (4.507 days) Half-Life from Model Lake : 1323 hours (55.14 days) Removal In Wastewater Treatment: Total removal: 93.59 percent Total biodegradation: 0.78 percent Total sludge adsorption: 92.81 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.245 352 1000 Water 0.971 4.32e+003 1000 Soil 41.4 8.64e+003 1000 Sediment 57.4 3.89e+004 0 Persistence Time: 1.05e+004 hr
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