Try beta.chemspider
1-{2-[(2,6-Dichlorobenzyl)oxy]-2-(2-furyl)ethyl}-1H-benzimidazole
Clc4cccc(Cl)c4COC(Cn2cnc1ccccc12)c3ccco3
InChI=1S/C20H16Cl2N2O2/c21-15-5-3-6-16(22)14(15)12-26-20(19-9-4-10-25-19)11-24-13-23-17-7-1-2-8-18(17)24/h1-10,13,20H,11-12H2
VYWYLPDZAJTQKB-UHFFFAOYSA-N
CSID:10605422, http://www.chemspider.com/Chemical-Structure.10605422.html (accessed 06:10, 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) = 5.51 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 519.67 (Adapted Stein & Brown method) Melting Pt (deg C): 221.79 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.83E-011 (Modified Grain method) Subcooled liquid VP: 8.7E-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): 0.07255 log Kow used: 5.51 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.10452 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Imidazoles Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.34E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.797E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.51 (KowWin est) Log Kaw used: -7.751 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.261 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.1490 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9215 (months ) Biowin4 (Primary Survey Model) : 2.9486 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.3518 Biowin6 (MITI Non-Linear Model): 0.0007 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.2237 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): 1.16E-006 Pa (8.7E-009 mm Hg) Log Koa (Koawin est ): 13.261 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.59 Octanol/air (Koa) model: 4.48 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.989 Mackay model : 0.995 Octanol/air (Koa) model: 0.997 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 154.6625 E-12 cm3/molecule-sec Half-Life = 0.069 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.830 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.992 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.438E+005 Log Koc: 5.158 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 = 3.541 (BCF = 3478) log Kow used: 5.51 (estimated) Volatilization from Water: Henry LC: 4.34E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.655E+006 hours (1.106E+005 days) Half-Life from Model Lake : 2.896E+007 hours (1.207E+006 days) Removal In Wastewater Treatment: Total removal: 88.41 percent Total biodegradation: 0.75 percent Total sludge adsorption: 87.66 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 0.0217 1.66 1000 Water 5.13 1.44e+003 1000 Soil 50 2.88e+003 1000 Sediment 44.8 1.3e+004 0 Persistence Time: 3.1e+003 hr
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