4,6-Dichloro-7-(2,4,5-trichlorophenoxy)-2-(trifluoromethyl)-1H-benzimidazole
c1c(c(cc(c1Cl)Cl)Cl)Oc2c(cc(c3c2[nH]c(n3)C(F)(F)F)Cl)Cl
InChI=1S/C14H4Cl5F3N2O/c15-4-1-6(17)9(3-5(4)16)25-12-8(19)2-7(18)10-11(12)24-13(23-10)14(20,21)22/h1-3H,(H,23,24)
RPICHNHPPUQIHI-UHFFFAOYSA-N
CSID:151782, http://www.chemspider.com/Chemical-Structure.151782.html (accessed 20:44, Dec 3, 2023)
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) = 6.64 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 526.74 (Adapted Stein & Brown method) Melting Pt (deg C): 225.09 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.12E-011 (Modified Grain method) Subcooled liquid VP: 5.74E-009 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): 0.00318 log Kow used: 6.64 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00079824 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Imidazoles Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.56E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.679E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.64 (KowWin est) Log Kaw used: -6.195 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.835 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.7675 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 0.5996 (recalcitrant) Biowin4 (Primary Survey Model) : 2.1739 (months ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.3251 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.2836 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): 7.65E-007 Pa (5.74E-009 mm Hg) Log Koa (Koawin est ): 12.835 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.92 Octanol/air (Koa) model: 1.68 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.993 Mackay model : 0.997 Octanol/air (Koa) model: 0.993 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 1.1448 E-12 cm3/molecule-sec Half-Life = 9.343 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 112.114 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.995 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.478E+005 Log Koc: 5.170 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 = 4.410 (BCF = 2.572e+004) log Kow used: 6.64 (estimated) Volatilization from Water: Henry LC: 1.56E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 7.966E+004 hours (3319 days) Half-Life from Model Lake : 8.692E+005 hours (3.622E+004 days) Removal In Wastewater Treatment: Total removal: 93.60 percent Total biodegradation: 0.78 percent Total sludge adsorption: 92.82 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 0.0582 224 1000 Water 0.8 4.32e+003 1000 Soil 51.6 8.64e+003 1000 Sediment 47.5 3.89e+004 0 Persistence Time: 1.31e+004 hr
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