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1-(6-Chloro-1,3-benzodioxol-5-yl)propyl 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate
CCC(c1cc2c(cc1Cl)OCO2)OC(=O)C3C(C3(C)C)C=C(C)C
InChI=1S/C20H25ClO4/c1-6-15(12-8-16-17(9-14(12)21)24-10-23-16)25-19(22)18-13(7-11(2)3)20(18,4)5/h7-9,13,15,18H,6,10H2,1-5H3
DHABYFASWXICCE-UHFFFAOYSA-N
CSID:202406, http://www.chemspider.com/Chemical-Structure.202406.html (accessed 03:47, Jun 12, 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) = 5.67 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 396.42 (Adapted Stein & Brown method) Melting Pt (deg C): 142.32 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.61E-007 (Modified Grain method) Subcooled liquid VP: 1.02E-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): 0.07149 log Kow used: 5.67 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.093234 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.47E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.451E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.67 (KowWin est) Log Kaw used: -5.515 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.185 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.1657 Biowin2 (Non-Linear Model) : 0.0462 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0453 (months ) Biowin4 (Primary Survey Model) : 3.2974 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3468 Biowin6 (MITI Non-Linear Model): 0.0407 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.4521 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): 0.00136 Pa (1.02E-005 mm Hg) Log Koa (Koawin est ): 11.185 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00221 Octanol/air (Koa) model: 0.0376 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0738 Mackay model : 0.15 Octanol/air (Koa) model: 0.75 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 94.9053 E-12 cm3/molecule-sec Half-Life = 0.113 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.352 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 43.000000 E-17 cm3/molecule-sec Half-Life = 0.027 Days (at 7E11 mol/cm3) Half-Life = 38.378 Min Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.112 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3746 Log Koc: 3.574 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 6.124E-003 L/mol-sec Kb Half-Life at pH 8: 3.587 years Kb Half-Life at pH 7: 35.867 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 2.015 (BCF = 103.6) log Kow used: 5.67 (estimated) Volatilization from Water: Henry LC: 7.47E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.499E+004 hours (624.8 days) Half-Life from Model Lake : 1.637E+005 hours (6822 days) Removal In Wastewater Treatment: Total removal: 90.08 percent Total biodegradation: 0.76 percent Total sludge adsorption: 89.33 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 0.00746 0.517 1000 Water 4.42 1.44e+003 1000 Soil 43.8 2.88e+003 1000 Sediment 51.8 1.3e+004 0 Persistence Time: 3.23e+003 hr
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