1,2,3,4,5-Pentachloro-6-(trichlorovinyl)benzene
c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)C(=C(Cl)Cl)Cl
InChI=1S/C8Cl8/c9-2-1(4(11)8(15)16)3(10)6(13)7(14)5(2)12
RUYUCCQRWINUHE-UHFFFAOYSA-N
CSID:31717, http://www.chemspider.com/Chemical-Structure.31717.html (accessed 17:34, Apr 20, 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) = 7.46 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 352.62 (Adapted Stein & Brown method) Melting Pt (deg C): 119.71 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.32E-005 (Modified Grain method) Subcooled liquid VP: 0.000114 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): 0.00174 log Kow used: 7.46 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0045776 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Vinyl/Allyl Halides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.30E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.790E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 7.46 (KowWin est) Log Kaw used: -2.027 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.487 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.6795 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 0.8075 (recalcitrant) Biowin4 (Primary Survey Model) : 2.1714 (months ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.3834 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.2193 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): 0.0152 Pa (0.000114 mm Hg) Log Koa (Koawin est ): 9.487 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000197 Octanol/air (Koa) model: 0.000753 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00708 Mackay model : 0.0155 Octanol/air (Koa) model: 0.0568 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 1.0731 E-12 cm3/molecule-sec Half-Life = 9.967 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 119.607 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.006141 E-17 cm3/molecule-sec Half-Life = 186.619 Days (at 7E11 mol/cm3) Fraction sorbed to airborne particulates (phi): 0.0113 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.143E+004 Log Koc: 4.497 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 = 4.180 (BCF = 1.515e+004) log Kow used: 7.46 (estimated) Volatilization from Water: Henry LC: 0.00023 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 6.949 hours Half-Life from Model Lake : 239.2 hours (9.967 days) Removal In Wastewater Treatment: Total removal: 93.97 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.18 percent Total to Air: 0.01 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.234 227 1000 Water 0.781 4.32e+003 1000 Soil 39.6 8.64e+003 1000 Sediment 59.3 3.89e+004 0 Persistence Time: 1.07e+004 hr
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