2,2-Dibromo-1-(2,4-dichlorophenyl)vinyl diethyl phosphate
CCOP(=O)(OCC)OC(=C(Br)Br)c1ccc(cc1Cl)Cl
InChI=1S/C12H13Br2Cl2O4P/c1-3-18-21(17,19-4-2)20-11(12(13)14)9-6-5-8(15)7-10(9)16/h5-7H,3-4H2,1-2H3
CKESMWXQXWZWKV-UHFFFAOYSA-N
CSID:149161, http://www.chemspider.com/Chemical-Structure.149161.html (accessed 07:40, Mar 29, 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) = 4.44 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 452.45 (Adapted Stein & Brown method) Melting Pt (deg C): 87.59 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.07E-007 (Modified Grain method) Subcooled liquid VP: 4.27E-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): 0.1487 log Kow used: 4.44 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 14.851 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Esters (phosphate) Vinyl/Allyl Halides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.85E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.572E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.44 (KowWin est) Log Kaw used: -6.934 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.374 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3744 Biowin2 (Non-Linear Model) : 1.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9304 (months ) Biowin4 (Primary Survey Model) : 3.3564 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.2397 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8833 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): 5.69E-005 Pa (4.27E-007 mm Hg) Log Koa (Koawin est ): 11.374 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0527 Octanol/air (Koa) model: 0.0581 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.656 Mackay model : 0.808 Octanol/air (Koa) model: 0.823 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 46.9717 E-12 cm3/molecule-sec Half-Life = 0.228 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.733 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.041160 E-17 cm3/molecule-sec Half-Life = 27.843 Days (at 7E11 mol/cm3) Fraction sorbed to airborne particulates (phi): 0.732 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 932.7 Log Koc: 2.970 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 = 1.939 (BCF = 86.87) log Kow used: 4.44 (estimated) Volatilization from Water: Henry LC: 2.85E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.514E+005 hours (1.881E+004 days) Half-Life from Model Lake : 4.925E+006 hours (2.052E+005 days) Removal In Wastewater Treatment: Total removal: 52.84 percent Total biodegradation: 0.50 percent Total sludge adsorption: 52.34 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 0.0282 5.42 1000 Water 8.71 1.44e+003 1000 Soil 83.8 2.88e+003 1000 Sediment 7.47 1.3e+004 0 Persistence Time: 2.67e+003 hr
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