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2,4-Dichlorophenyl ethyl (2-chloroethyl)phosphonate
Clc1cc(Cl)ccc1OP(=O)(OCC)CCCl
InChI=1S/C10H12Cl3O3P/c1-2-15-17(14,6-5-11)16-10-4-3-8(12)7-9(10)13/h3-4,7H,2,5-6H2,1H3
LTWUUYROGKNUOL-UHFFFAOYSA-N
CSID:9028279, http://www.chemspider.com/Chemical-Structure.9028279.html (accessed 23:37, May 13, 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) = 3.71 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 375.79 (Adapted Stein & Brown method) Melting Pt (deg C): 82.69 (Mean or Weighted MP) VP(mm Hg,25 deg C): 8.99E-006 (Modified Grain method) Subcooled liquid VP: 3.2E-005 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): 6.61 log Kow used: 3.71 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 178.04 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Esters (phosphate) Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.57E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.683E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.71 (KowWin est) Log Kaw used: -5.193 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.903 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.1201 Biowin2 (Non-Linear Model) : 0.0006 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9111 (months ) Biowin4 (Primary Survey Model) : 2.9583 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0458 Biowin6 (MITI Non-Linear Model): 0.0024 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2710 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): 0.00427 Pa (3.2E-005 mm Hg) Log Koa (Koawin est ): 8.903 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000703 Octanol/air (Koa) model: 0.000196 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0248 Mackay model : 0.0533 Octanol/air (Koa) model: 0.0155 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 20.7958 E-12 cm3/molecule-sec Half-Life = 0.514 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 6.172 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.039 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 100.3 Log Koc: 2.001 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 = 2.155 (BCF = 142.7) log Kow used: 3.71 (estimated) Volatilization from Water: Henry LC: 1.57E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 6647 hours (277 days) Half-Life from Model Lake : 7.266E+004 hours (3028 days) Removal In Wastewater Treatment: Total removal: 18.76 percent Total biodegradation: 0.23 percent Total sludge adsorption: 18.53 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 0.214 12.3 1000 Water 12.5 1.44e+003 1000 Soil 85.5 2.88e+003 1000 Sediment 1.82 1.3e+004 0 Persistence Time: 1.88e+003 hr
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