Ethyl 2,4,5-trichlorophenyl ethylphosphonate
CCOP(=O)(CC)Oc1cc(c(cc1Cl)Cl)Cl
InChI=1S/C10H12Cl3O3P/c1-3-15-17(14,4-2)16-10-6-8(12)7(11)5-9(10)13/h5-6H,3-4H2,1-2H3
ZUISTOMUOSRKKE-UHFFFAOYSA-N
CSID:141314, http://www.chemspider.com/Chemical-Structure.141314.html (accessed 15:44, Mar 28, 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) = 4.10 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 363.40 (Adapted Stein & Brown method) Melting Pt (deg C): 86.76 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.62E-005 (Modified Grain method) Subcooled liquid VP: 6.33E-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): 3.067 log Kow used: 4.10 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 115.23 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 : 3.31E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.207E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.10 (KowWin est) Log Kaw used: -4.869 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.969 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.0491 Biowin2 (Non-Linear Model) : 0.0005 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.8777 (months ) Biowin4 (Primary Survey Model) : 2.8936 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0979 Biowin6 (MITI Non-Linear Model): 0.0021 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6688 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): 0.00844 Pa (6.33E-005 mm Hg) Log Koa (Koawin est ): 8.969 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000355 Octanol/air (Koa) model: 0.000229 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0127 Mackay model : 0.0276 Octanol/air (Koa) model: 0.018 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 20.6323 E-12 cm3/molecule-sec Half-Life = 0.518 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 6.221 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0202 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 89.91 Log Koc: 1.954 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 = 2.455 (BCF = 285.3) log Kow used: 4.10 (estimated) Volatilization from Water: Henry LC: 3.31E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3154 hours (131.4 days) Half-Life from Model Lake : 3.455E+004 hours (1440 days) Removal In Wastewater Treatment: Total removal: 34.84 percent Total biodegradation: 0.36 percent Total sludge adsorption: 34.47 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 0.246 12.4 1000 Water 12.4 1.44e+003 1000 Soil 82.6 2.88e+003 1000 Sediment 4.74 1.3e+004 0 Persistence Time: 1.83e+003 hr
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