- Double-bond stereo
(E)-2-Chloro-1-(2,4,5-trichlorophenyl)vinyl ethyl methyl phosphate
CCOP(=O)(OC)O/C(=C/Cl)/c1cc(c(cc1Cl)Cl)Cl
InChI=1S/C11H11Cl4O4P/c1-3-18-20(16,17-2)19-11(6-12)7-4-9(14)10(15)5-8(7)13/h4-6H,3H2,1-2H3/b11-6+
OMKXXOFVSVRWQO-IZZDOVSWSA-N
CSID:19975727, http://www.chemspider.com/Chemical-Structure.19975727.html (accessed 19:55, 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) = 4.30 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 404.87 (Adapted Stein & Brown method) Melting Pt (deg C): 86.94 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.61E-006 (Modified Grain method) Subcooled liquid VP: 6.33E-006 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): 0.8668 log Kow used: 4.30 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 14.636 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 : 2.88E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 9.287E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.30 (KowWin est) Log Kaw used: -5.929 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.229 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2219 Biowin2 (Non-Linear Model) : 1.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.7202 (recalcitrant) Biowin4 (Primary Survey Model) : 3.1682 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1712 Biowin6 (MITI Non-Linear Model): 0.0004 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2559 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): 0.000844 Pa (6.33E-006 mm Hg) Log Koa (Koawin est ): 10.229 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00355 Octanol/air (Koa) model: 0.00416 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.114 Mackay model : 0.221 Octanol/air (Koa) model: 0.25 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 40.6161 E-12 cm3/molecule-sec Half-Life = 0.263 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.160 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.300300 E-17 cm3/molecule-sec Half-Life = 3.816 Days (at 7E11 mol/cm3) Half-Life = 91.588 Hrs Fraction sorbed to airborne particulates (phi): 0.168 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 529.8 Log Koc: 2.724 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 = 1.830 (BCF = 67.67) log Kow used: 4.30 (estimated) Volatilization from Water: Henry LC: 2.88E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.963E+004 hours (1651 days) Half-Life from Model Lake : 4.325E+005 hours (1.802E+004 days) Removal In Wastewater Treatment: Total removal: 45.27 percent Total biodegradation: 0.44 percent Total sludge adsorption: 44.83 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 0.0263 5.91 1000 Water 4.87 4.32e+003 1000 Soil 90.6 8.64e+003 1000 Sediment 4.53 3.89e+004 0 Persistence Time: 6.09e+003 hr
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