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1-[Dibromo(chloro)methyl]cyclohexyl acetate
O=C(OC1(CCCCC1)C(Br)(Br)Cl)C
InChI=1S/C9H13Br2ClO2/c1-7(13)14-8(9(10,11)12)5-3-2-4-6-8/h2-6H2,1H3
XMEJMGDYLWJHNS-UHFFFAOYSA-N
CSID:9957698, http://www.chemspider.com/Chemical-Structure.9957698.html (accessed 03:54, 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) = 4.63 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 310.81 (Adapted Stein & Brown method) Melting Pt (deg C): 93.07 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000241 (Modified Grain method) Subcooled liquid VP: 0.0011 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): 0.7025 log Kow used: 4.63 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 21.769 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.98E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.573E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.63 (KowWin est) Log Kaw used: -4.092 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.722 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.1842 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0298 (months ) Biowin4 (Primary Survey Model) : 3.2372 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4481 Biowin6 (MITI Non-Linear Model): 0.0079 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3633 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): 0.147 Pa (0.0011 mm Hg) Log Koa (Koawin est ): 8.722 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.05E-005 Octanol/air (Koa) model: 0.000129 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000738 Mackay model : 0.00163 Octanol/air (Koa) model: 0.0102 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 7.1074 E-12 cm3/molecule-sec Half-Life = 1.505 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 18.059 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00119 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 505.3 Log Koc: 2.704 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 3.014E-002 L/mol-sec Kb Half-Life at pH 8: 266.184 days Kb Half-Life at pH 7: 7.288 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 2.866 (BCF = 734) log Kow used: 4.63 (estimated) Volatilization from Water: Henry LC: 1.98E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 553.9 hours (23.08 days) Half-Life from Model Lake : 6199 hours (258.3 days) Removal In Wastewater Treatment: Total removal: 62.68 percent Total biodegradation: 0.57 percent Total sludge adsorption: 62.07 percent Total to Air: 0.04 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.559 36.1 1000 Water 11 1.44e+003 1000 Soil 73.9 2.88e+003 1000 Sediment 14.6 1.3e+004 0 Persistence Time: 1.95e+003 hr
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