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1-(2-{4-Methoxy-3-[3-(4-methoxyphenyl)propoxy]phenyl}ethyl)-1H-imidazole
COc1ccc(cc1)CCCOc2cc(ccc2OC)CCn3ccnc3
InChI=1S/C22H26N2O3/c1-25-20-8-5-18(6-9-20)4-3-15-27-22-16-19(7-10-21(22)26-2)11-13-24-14-12-23-17-24/h5-10,12,14,16-17H,3-4,11,13,15H2,1-2H3
FCBRFERWWOBAJC-UHFFFAOYSA-N
CSID:3757643, http://www.chemspider.com/Chemical-Structure.3757643.html (accessed 17:24, Apr 26, 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) = 5.22 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 509.04 (Adapted Stein & Brown method) Melting Pt (deg C): 216.82 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.46E-010 (Modified Grain method) Subcooled liquid VP: 1.62E-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): 0.1713 log Kow used: 5.22 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.011861 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Imidazoles Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.53E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.110E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.22 (KowWin est) Log Kaw used: -7.985 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.205 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0782 Biowin2 (Non-Linear Model) : 0.9967 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0653 (months ) Biowin4 (Primary Survey Model) : 3.4133 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3275 Biowin6 (MITI Non-Linear Model): 0.1411 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0911 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): 2.16E-006 Pa (1.62E-008 mm Hg) Log Koa (Koawin est ): 13.205 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.39 Octanol/air (Koa) model: 3.94 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.98 Mackay model : 0.991 Octanol/air (Koa) model: 0.997 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 124.5541 E-12 cm3/molecule-sec Half-Life = 0.086 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.030 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.986 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.711E+005 Log Koc: 5.433 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 = 3.320 (BCF = 2089) log Kow used: 5.22 (estimated) Volatilization from Water: Henry LC: 2.53E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.43E+006 hours (1.846E+005 days) Half-Life from Model Lake : 4.833E+007 hours (2.014E+006 days) Removal In Wastewater Treatment: Total removal: 83.55 percent Total biodegradation: 0.72 percent Total sludge adsorption: 82.84 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 0.0234 2.06 1000 Water 6.53 1.44e+003 1000 Soil 61.6 2.88e+003 1000 Sediment 31.9 1.3e+004 0 Persistence Time: 2.86e+003 hr
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