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3',4,4'-Trichloro-3-biphenylcarboxylic acid
c1cc(c(cc1c2ccc(c(c2)Cl)Cl)C(=O)O)Cl
InChI=1S/C13H7Cl3O2/c14-10-3-1-7(5-9(10)13(17)18)8-2-4-11(15)12(16)6-8/h1-6H,(H,17,18)
YGFZXABEKIXJDO-UHFFFAOYSA-N
CSID:11853726, http://www.chemspider.com/Chemical-Structure.11853726.html (accessed 18:57, Jul 14, 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) = 5.23 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 423.25 (Adapted Stein & Brown method) Melting Pt (deg C): 170.06 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.13E-008 (Modified Grain method) Subcooled liquid VP: 2.25E-006 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): 0.4113 log Kow used: 5.23 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.52885 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics-acid Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.39E-009 atm-m3/mole Group Method: 2.23E-009 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 6.878E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.23 (KowWin est) Log Kaw used: -6.858 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.088 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2336 Biowin2 (Non-Linear Model) : 0.0074 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0008 (months ) Biowin4 (Primary Survey Model) : 2.9244 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2598 Biowin6 (MITI Non-Linear Model): 0.0248 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6777 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): 0.0003 Pa (2.25E-006 mm Hg) Log Koa (Koawin est ): 12.088 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.01 Octanol/air (Koa) model: 0.301 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.265 Mackay model : 0.444 Octanol/air (Koa) model: 0.96 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 1.2467 E-12 cm3/molecule-sec Half-Life = 8.580 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 102.955 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.355 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2424 Log Koc: 3.384 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 = 0.750 (BCF = 5.623) log Kow used: 5.23 (estimated) Volatilization from Water: Henry LC: 2.23E-009 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 4.559E+005 hours (1.9E+004 days) Half-Life from Model Lake : 4.974E+006 hours (2.072E+005 days) Removal In Wastewater Treatment: Total removal: 83.77 percent Total biodegradation: 0.72 percent Total sludge adsorption: 83.05 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 0.0113 206 1000 Water 5.23 1.44e+003 1000 Soil 68.7 2.88e+003 1000 Sediment 26.1 1.3e+004 0 Persistence Time: 3.8e+003 hr
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