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6-Chloro-2-(4-chlorophenyl)-1H-benzimidazol-1-ol
c1cc(ccc1c2nc3ccc(cc3n2O)Cl)Cl
InChI=1S/C13H8Cl2N2O/c14-9-3-1-8(2-4-9)13-16-11-6-5-10(15)7-12(11)17(13)18/h1-7,18H
KHMMSGPBDXPKAX-UHFFFAOYSA-N
CSID:3414080, http://www.chemspider.com/Chemical-Structure.3414080.html (accessed 13:38, May 11, 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) = 3.81 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 464.72 (Adapted Stein & Brown method) Melting Pt (deg C): 196.12 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.17E-010 (Modified Grain method) Subcooled liquid VP: 3.26E-008 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): 9.083 log Kow used: 3.81 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 69.092 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Imidazoles Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : Incomplete Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.091E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Can Not Estimate (can not calculate HenryLC) Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2498 Biowin2 (Non-Linear Model) : 0.0068 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1691 (months ) Biowin4 (Primary Survey Model) : 3.1143 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0484 Biowin6 (MITI Non-Linear Model): 0.0059 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6365 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): 4.35E-006 Pa (3.26E-008 mm Hg) Log Koa (): not available Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.69 Octanol/air (Koa) model: not available Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.961 Mackay model : 0.982 Octanol/air (Koa) model: not available Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 15.7741 E-12 cm3/molecule-sec Half-Life = 0.678 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 8.137 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.972 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.806E+004 Log Koc: 4.257 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 = 2.232 (BCF = 170.5) log Kow used: 3.81 (estimated) Volatilization from Water: Henry LC: 2.09E-011 atm-m3/mole (calculated from VP/WS) Half-Life from Model River: 4.679E+007 hours (1.95E+006 days) Half-Life from Model Lake : 5.104E+008 hours (2.127E+007 days) Removal In Wastewater Treatment: Total removal: 22.20 percent Total biodegradation: 0.26 percent Total sludge adsorption: 21.94 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 0.00352 16.3 1000 Water 8.78 1.44e+003 1000 Soil 89.6 2.88e+003 1000 Sediment 1.65 1.3e+004 0 Persistence Time: 2.87e+003 hr
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