Try beta.chemspider
2,2',3,4,5,5',6-Heptachlorobiphenyl
c1cc(c(cc1Cl)c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl
InChI=1S/C12H3Cl7/c13-4-1-2-6(14)5(3-4)7-8(15)10(17)12(19)11(18)9(7)16/h1-3H
PYZHTHZEHQHHEN-UHFFFAOYSA-N
CSID:37004, http://www.chemspider.com/Chemical-Structure.37004.html (accessed 16:29, Apr 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) = 8.27 Log Kow (Exper. database match) = 7.93 Exper. Ref: BioByte (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 415.60 (Adapted Stein & Brown method) Melting Pt (deg C): 163.56 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.3E-007 (Modified Grain method) Subcooled liquid VP: 3.46E-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): 0.000553 log Kow used: 7.93 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 0.00546 mg/L (20 deg C) Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00036674 mg/L Wat Sol (Exper. database match) = 0.01 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 : 5.07E-005 atm-m3/mole Group Method: 1.38E-004 atm-m3/mole Exper Database: 1.60E-05 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.223E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 7.93 (exp database) Log Kaw used: -3.184 (exp database) Log Koa (KOAWIN v1.10 estimate): 11.114 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.7176 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 0.8793 (recalcitrant) Biowin4 (Primary Survey Model) : 2.1200 (months ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.3961 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -2.2661 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): 0.000461 Pa (3.46E-006 mm Hg) Log Koa (Koawin est ): 11.114 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0065 Octanol/air (Koa) model: 0.0319 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.19 Mackay model : 0.342 Octanol/air (Koa) model: 0.719 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.1243 E-12 cm3/molecule-sec Half-Life = 86.055 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.266 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.111E+005 Log Koc: 5.324 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 = 4.156 (BCF = 1.432e+004) log Kow used: 7.93 (expkow database) Volatilization from Water: Henry LC: 1.6E-005 atm-m3/mole (Henry experimental database) Half-Life from Model River: 74.79 hours (3.116 days) Half-Life from Model Lake : 982.6 hours (40.94 days) Removal In Wastewater Treatment: Total removal: 94.01 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.23 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 0.152 2.07e+003 1000 Water 0.687 4.32e+003 1000 Soil 45.2 8.64e+003 1000 Sediment 54 3.89e+004 0 Persistence Time: 1.25e+004 hr
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