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2-Bromo-4-chlorophenyl (1-naphthyloxy)acetate
c1ccc2c(c1)cccc2OCC(=O)Oc3ccc(cc3Br)Cl
InChI=1S/C18H12BrClO3/c19-15-10-13(20)8-9-17(15)23-18(21)11-22-16-7-3-5-12-4-1-2-6-14(12)16/h1-10H,11H2
KTURXHFIWRQLPN-UHFFFAOYSA-N
CSID:1089348, http://www.chemspider.com/Chemical-Structure.1089348.html (accessed 00:45, Jul 9, 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) = 5.54 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 452.38 (Adapted Stein & Brown method) Melting Pt (deg C): 179.75 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.05E-008 (Modified Grain method) Subcooled liquid VP: 4.29E-007 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): 0.06384 log Kow used: 5.54 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0267 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.72E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 8.476E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.54 (KowWin est) Log Kaw used: -5.631 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.171 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5744 Biowin2 (Non-Linear Model) : 0.5204 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0732 (months ) Biowin4 (Primary Survey Model) : 3.2699 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3905 Biowin6 (MITI Non-Linear Model): 0.1093 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1446 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): 5.72E-005 Pa (4.29E-007 mm Hg) Log Koa (Koawin est ): 11.171 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0524 Octanol/air (Koa) model: 0.0364 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.655 Mackay model : 0.808 Octanol/air (Koa) model: 0.744 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 202.4004 E-12 cm3/molecule-sec Half-Life = 0.053 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.634 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.731 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.89E+004 Log Koc: 4.590 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 9.068E+001 L/mol-sec Kb Half-Life at pH 8: 2.123 hours Kb Half-Life at pH 7: 21.232 hours Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 3.567 (BCF = 3691) log Kow used: 5.54 (estimated) Volatilization from Water: Henry LC: 5.72E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.026E+004 hours (844.1 days) Half-Life from Model Lake : 2.212E+005 hours (9215 days) Removal In Wastewater Treatment: Total removal: 88.76 percent Total biodegradation: 0.75 percent Total sludge adsorption: 88.02 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 0.0185 1.27 1000 Water 5.1 1.44e+003 1000 Soil 47.8 2.88e+003 1000 Sediment 47.1 1.3e+004 0 Persistence Time: 3.05e+003 hr
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