2,2',5,5'-Tetrachlorobiphenyl
c1cc(c(cc1Cl)c2cc(ccc2Cl)Cl)Cl
InChI=1S/C12H6Cl4/c13-7-1-3-11(15)9(5-7)10-6-8(14)2-4-12(10)16/h1-6H
HCWZEPKLWVAEOV-UHFFFAOYSA-N
CSID:34189, http://www.chemspider.com/Chemical-Structure.34189.html (accessed 05:54, Jun 7, 2023)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module
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) = 6.09 Exper. Ref: Hansch,C et al. (1995) 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) Subcooled liquid VP: 7.84E-005 mm Hg (25 deg C, Mod-Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.08606 log Kow used: 6.09 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 0.046 mg/L ( deg C) Exper. Ref: LANDRUM,PF (1988) Water Sol (Exper. database match) = 0.0153 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) = 0.05 Exper. Ref: LANDRUM,PF (1988) Wat Sol (Exper. database match) = 0.02 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: 2.00E-04 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 3.772E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.09 (exp database) Log Kaw used: -2.087 (exp database) Log Koa (KOAWIN v1.10 estimate): 8.177 Log Koa (experimental database): 8.470 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): 0.0105 Pa (7.84E-005 mm Hg) Log Koa (Exp database): 8.470 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000287 Octanol/air (Koa) model: 7.24E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0103 Mackay model : 0.0224 Octanol/air (Koa) model: 0.00576 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): 0.0164 (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 = 4.609 (BCF = 4.067e+004) log Kow used: 6.09 (expkow database) Volatilization from Water: Henry LC: 0.0002 atm-m3/mole (Henry experimental database) Half-Life from Model River: 6.746 hours Half-Life from Model Lake : 216.9 hours (9.036 days) Removal In Wastewater Treatment: Total removal: 92.53 percent Total biodegradation: 0.77 percent Total sludge adsorption: 91.60 percent Total to Air: 0.16 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.381 352 1000 Water 1.31 4.32e+003 1000 Soil 51.2 8.64e+003 1000 Sediment 47.1 3.89e+004 0 Persistence Time: 8.35e+003 hr
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