Try beta.chemspider
2,2',3,3',4,5,6'-Heptachlorobiphenyl
c1cc(c(c(c1Cl)c2cc(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl
InChI=1S/C12H3Cl7/c13-5-1-2-6(14)10(17)8(5)4-3-7(15)11(18)12(19)9(4)16/h1-3H
ZDLMBNHYTPHDLF-UHFFFAOYSA-N
CSID:34860, http://www.chemspider.com/Chemical-Structure.34860.html (accessed 01:08, Jul 6, 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 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): 0.0002842 log Kow used: 8.27 (estimated) no-melting pt equation used Water Sol (Exper. database match) = 0.00102 mg/L (25 deg C) Exper. Ref: PATIL,GS (1991) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00036674 mg/L Wat Sol (Exper. database match) = 0.00 Exper. Ref: PATIL,GS (1991) 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: 1.40E-05 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.379E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 8.27 (KowWin est) Log Kaw used: -3.242 (exp database) Log Koa (KOAWIN v1.10 estimate): 11.512 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 ): 11.512 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0065 Octanol/air (Koa) model: 0.0798 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.19 Mackay model : 0.342 Octanol/air (Koa) model: 0.865 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.1046 E-12 cm3/molecule-sec Half-Life = 102.248 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 = 3.692 (BCF = 4922) log Kow used: 8.27 (estimated) Volatilization from Water: Henry LC: 1.4E-005 atm-m3/mole (Henry experimental database) Half-Life from Model River: 85.18 hours (3.549 days) Half-Life from Model Lake : 1096 hours (45.66 days) Removal In Wastewater Treatment: Total removal: 94.03 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.25 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 0.151 2.45e+003 1000 Water 0.681 4.32e+003 1000 Soil 45.1 8.64e+003 1000 Sediment 54 3.89e+004 0 Persistence Time: 1.25e+004 hr
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