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N-[2-(1H-Benzimidazol-2-yl)phenyl]-2-[(4-chlorobenzyl)oxy]benzamide
c1ccc(c(c1)c2[nH]c3ccccc3n2)NC(=O)c4ccccc4OCc5ccc(cc5)Cl
InChI=1S/C27H20ClN3O2/c28-19-15-13-18(14-16-19)17-33-25-12-6-2-8-21(25)27(32)31-22-9-3-1-7-20(22)26-29-23-10-4-5-11-24(23)30-26/h1-16H,17H2,(H,29,30)(H,31,32)
IZEJTAXZGUENDN-UHFFFAOYSA-N
CSID:1769489, http://www.chemspider.com/Chemical-Structure.1769489.html (accessed 10:16, 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) = 5.58 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 750.38 (Adapted Stein & Brown method) Melting Pt (deg C): 329.56 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.62E-018 (Modified Grain method) Subcooled liquid VP: 7.33E-015 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): 0.02438 log Kow used: 5.58 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00023944 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Imidazoles Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.26E-017 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.419E-017 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.58 (KowWin est) Log Kaw used: -15.034 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 20.614 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6911 Biowin2 (Non-Linear Model) : 0.3745 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.8771 (months ) Biowin4 (Primary Survey Model) : 3.3100 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.2345 Biowin6 (MITI Non-Linear Model): 0.0011 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.4903 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): 9.77E-013 Pa (7.33E-015 mm Hg) Log Koa (Koawin est ): 20.614 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.07E+006 Octanol/air (Koa) model: 1.01E+008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 98.3824 E-12 cm3/molecule-sec Half-Life = 0.109 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.305 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4.325E+005 Log Koc: 5.636 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 = 3.593 (BCF = 3917) log Kow used: 5.58 (estimated) Volatilization from Water: Henry LC: 2.26E-017 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5.52E+013 hours (2.3E+012 days) Half-Life from Model Lake : 6.021E+014 hours (2.509E+013 days) Removal In Wastewater Treatment: Total removal: 89.21 percent Total biodegradation: 0.75 percent Total sludge adsorption: 88.46 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 0.0138 2.61 1000 Water 4.16 1.44e+003 1000 Soil 54.4 2.88e+003 1000 Sediment 41.4 1.3e+004 0 Persistence Time: 3.83e+003 hr
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