1-Chloro-4-(1,2,2,2-tetrachloro-1-phenylethyl)benzene
c1ccc(cc1)C(c2ccc(cc2)Cl)(C(Cl)(Cl)Cl)Cl
InChI=1S/C14H9Cl5/c15-12-8-6-11(7-9-12)13(16,14(17,18)19)10-4-2-1-3-5-10/h1-9H
CVCHOXWGOWLKFJ-UHFFFAOYSA-N
CSID:14289986, http://www.chemspider.com/Chemical-Structure.14289986.html (accessed 03:43, Apr 19, 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) = 6.37 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 363.09 (Adapted Stein & Brown method) Melting Pt (deg C): 122.30 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.95E-006 (Modified Grain method) Subcooled liquid VP: 6.44E-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): 0.02128 log Kow used: 6.37 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0077731 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Benzyl Halides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.27E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.523E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.37 (KowWin est) Log Kaw used: -3.527 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.897 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.2890 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.1142 (recalcitrant) Biowin4 (Primary Survey Model) : 2.4665 (weeks-months) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1228 Biowin6 (MITI Non-Linear Model): 0.0002 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.9340 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): 0.00859 Pa (6.44E-005 mm Hg) Log Koa (Koawin est ): 9.897 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000349 Octanol/air (Koa) model: 0.00194 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0125 Mackay model : 0.0272 Octanol/air (Koa) model: 0.134 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 5.9413 E-12 cm3/molecule-sec Half-Life = 1.800 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 21.603 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0198 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.145E+005 Log Koc: 5.331 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 = 4.202 (BCF = 1.593e+004) log Kow used: 6.37 (estimated) Volatilization from Water: Henry LC: 7.27E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 153.5 hours (6.398 days) Half-Life from Model Lake : 1833 hours (76.37 days) Removal In Wastewater Treatment: Total removal: 93.23 percent Total biodegradation: 0.77 percent Total sludge adsorption: 92.45 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 0.125 43.2 1000 Water 1.14 4.32e+003 1000 Soil 43.2 8.64e+003 1000 Sediment 55.5 3.89e+004 0 Persistence Time: 9.86e+003 hr
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