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2-Bromo-1-(bromomethyl)-4-chlorobenzene
BrCc1ccc(Cl)cc1Br
InChI=1S/C7H5Br2Cl/c8-4-5-1-2-6(10)3-7(5)9/h1-3H,4H2
KZIGUGMFQVNQFJ-UHFFFAOYSA-N
CSID:8788432, http://www.chemspider.com/Chemical-Structure.8788432.html (accessed 01:16, Jun 2, 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) = 4.42 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 273.06 (Adapted Stein & Brown method) Melting Pt (deg C): 62.67 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00359 (Modified Grain method) Subcooled liquid VP: 0.00806 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): 2.549 log Kow used: 4.42 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 8.2389 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Benzyl Halides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.02E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.270E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.42 (KowWin est) Log Kaw used: -2.083 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.503 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2732 Biowin2 (Non-Linear Model) : 0.0001 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2571 (weeks-months) Biowin4 (Primary Survey Model) : 3.1540 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1048 Biowin6 (MITI Non-Linear Model): 0.0088 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4993 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): 1.07 Pa (0.00806 mm Hg) Log Koa (Koawin est ): 6.503 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.79E-006 Octanol/air (Koa) model: 7.82E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000101 Mackay model : 0.000223 Octanol/air (Koa) model: 6.25E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.8221 E-12 cm3/molecule-sec Half-Life = 13.011 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000162 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1387 Log Koc: 3.142 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 = 2.702 (BCF = 503.6) log Kow used: 4.42 (estimated) Volatilization from Water: Henry LC: 0.000202 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 6.609 hours Half-Life from Model Lake : 213.5 hours (8.896 days) Removal In Wastewater Treatment: Total removal: 54.61 percent Total biodegradation: 0.47 percent Total sludge adsorption: 49.97 percent Total to Air: 4.17 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 3.43 312 1000 Water 10.8 900 1000 Soil 79.1 1.8e+003 1000 Sediment 6.72 8.1e+003 0 Persistence Time: 1.09e+003 hr
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