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(2-Chlorophenyl)(4,5-dichloro-1H-imidazol-1-yl)methanone
c1ccc(c(c1)C(=O)n2cnc(c2Cl)Cl)Cl
InChI=1S/C10H5Cl3N2O/c11-7-4-2-1-3-6(7)10(16)15-5-14-8(12)9(15)13/h1-5H
OSGFGNDMDFEDTP-UHFFFAOYSA-N
CSID:2058736, http://www.chemspider.com/Chemical-Structure.2058736.html (accessed 07:48, Apr 25, 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) = 3.46 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 397.86 (Adapted Stein & Brown method) Melting Pt (deg C): 150.27 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.97E-007 (Modified Grain method) Subcooled liquid VP: 9.37E-006 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): 19 log Kow used: 3.46 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.2474 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Imidazoles Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.36E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 9.483E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.46 (KowWin est) Log Kaw used: -5.255 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.715 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.0691 Biowin2 (Non-Linear Model) : 0.0010 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9705 (months ) Biowin4 (Primary Survey Model) : 2.9542 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0479 Biowin6 (MITI Non-Linear Model): 0.0041 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.8479 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): 0.00125 Pa (9.37E-006 mm Hg) Log Koa (Koawin est ): 8.715 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0024 Octanol/air (Koa) model: 0.000127 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0798 Mackay model : 0.161 Octanol/air (Koa) model: 0.0101 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 4.3193 E-12 cm3/molecule-sec Half-Life = 2.476 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 29.716 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.12 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 319.4 Log Koc: 2.504 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 = 1.961 (BCF = 91.45) log Kow used: 3.46 (estimated) Volatilization from Water: Henry LC: 1.36E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 7148 hours (297.8 days) Half-Life from Model Lake : 7.811E+004 hours (3255 days) Removal In Wastewater Treatment: Total removal: 12.16 percent Total biodegradation: 0.18 percent Total sludge adsorption: 11.98 percent Total to Air: 0.01 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.364 59.4 1000 Water 11.4 1.44e+003 1000 Soil 87.4 2.88e+003 1000 Sediment 0.883 1.3e+004 0 Persistence Time: 2.18e+003 hr
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