Try beta.chemspider
2,2',3,3',5,5',6,6'-Octachlorobiphenyl
c1c(c(c(c(c1Cl)Cl)c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl)Cl
InChI=1S/C12H2Cl8/c13-3-1-4(14)10(18)7(9(3)17)8-11(19)5(15)2-6(16)12(8)20/h1-2H
JPOPEORRMSDUIP-UHFFFAOYSA-N
CSID:15637, http://www.chemspider.com/Chemical-Structure.15637.html (accessed 23:45, Jul 23, 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) = 8.91 Log Kow (Exper. database match) = 7.73 Exper. Ref: DeBruijn,J et al. (1989) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 434.29 (Adapted Stein & Brown method) Melting Pt (deg C): 180.78 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.87E-008 (Modified Grain method) VP (exp database): 3.93E-06 mm Hg at 25 deg C Subcooled liquid VP: 0.000136 mm Hg (25 deg C, exp database VP ) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.0005001 log Kow used: 7.73 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 0.000147 mg/L (25 deg C) Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 8.1049e-005 mg/L Wat Sol (Exper. database match) = 0.00 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 : 3.76E-005 atm-m3/mole Group Method: 1.17E-004 atm-m3/mole Exper Database: 1.80E-05 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 3.245E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 7.73 (exp database) Log Kaw used: -3.133 (exp database) Log Koa (KOAWIN v1.10 estimate): 10.863 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.9164 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 0.5966 (recalcitrant) Biowin4 (Primary Survey Model) : 1.9050 (months ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.5006 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -2.5730 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): 0.0181 Pa (0.000136 mm Hg) Log Koa (Koawin est ): 10.863 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000165 Octanol/air (Koa) model: 0.0179 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00594 Mackay model : 0.0131 Octanol/air (Koa) model: 0.589 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.0559 E-12 cm3/molecule-sec Half-Life = 191.439 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0095 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.49E+005 Log Koc: 5.543 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 = 4.430 (BCF = 2.691e+004) log Kow used: 7.73 (expkow database) Volatilization from Water: Henry LC: 1.8E-005 atm-m3/mole (Henry experimental database) Half-Life from Model River: 69.55 hours (2.898 days) Half-Life from Model Lake : 932.5 hours (38.85 days) Removal In Wastewater Treatment: Total removal: 94.00 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.22 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 0.103 4.59e+003 1000 Water 0.659 4.32e+003 1000 Soil 48 8.64e+003 1000 Sediment 51.3 3.89e+004 0 Persistence Time: 1.32e+004 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight