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2-Butyl-1-[3-(4-chlorophenoxy)propyl]-1H-benzimidazole
CCCCc1nc2ccccc2n1CCCOc3ccc(cc3)Cl
InChI=1S/C20H23ClN2O/c1-2-3-9-20-22-18-7-4-5-8-19(18)23(20)14-6-15-24-17-12-10-16(21)11-13-17/h4-5,7-8,10-13H,2-3,6,9,14-15H2,1H3
JRBKQNICKFZVQG-UHFFFAOYSA-N
CSID:2210088, http://www.chemspider.com/Chemical-Structure.2210088.html (accessed 18:00, Jul 4, 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) = 6.67 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 490.38 (Adapted Stein & Brown method) Melting Pt (deg C): 205.05 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.97E-010 (Modified Grain method) Subcooled liquid VP: 4.8E-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): 0.01375 log Kow used: 6.67 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0041442 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Imidazoles Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.14E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.959E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.67 (KowWin est) Log Kaw used: -5.332 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.002 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6969 Biowin2 (Non-Linear Model) : 0.6886 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4002 (weeks-months) Biowin4 (Primary Survey Model) : 3.4654 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1510 Biowin6 (MITI Non-Linear Model): 0.0368 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5408 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): 6.4E-006 Pa (4.8E-008 mm Hg) Log Koa (Koawin est ): 12.002 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.469 Octanol/air (Koa) model: 0.247 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.944 Mackay model : 0.974 Octanol/air (Koa) model: 0.952 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 111.7886 E-12 cm3/molecule-sec Half-Life = 0.096 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.148 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.959 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.89E+005 Log Koc: 5.276 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 = 4.436 (BCF = 2.731e+004) log Kow used: 6.67 (estimated) Volatilization from Water: Henry LC: 1.14E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 9512 hours (396.3 days) Half-Life from Model Lake : 1.039E+005 hours (4330 days) Removal In Wastewater Treatment: Total removal: 93.63 percent Total biodegradation: 0.78 percent Total sludge adsorption: 92.85 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 0.0326 2.3 1000 Water 2.38 900 1000 Soil 31.2 1.8e+003 1000 Sediment 66.4 8.1e+003 0 Persistence Time: 2.99e+003 hr
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