Try beta.chemspider
2,3,5,6-Tetrafluorobenzyl 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate
CC1(C(C1C(=O)OCc2c(c(cc(c2F)F)F)F)C=C(Cl)Cl)C
InChI=1S/C15H12Cl2F4O2/c1-15(2)7(3-10(16)17)11(15)14(22)23-5-6-12(20)8(18)4-9(19)13(6)21/h3-4,7,11H,5H2,1-2H3
DDVNRFNDOPPVQJ-UHFFFAOYSA-N
CSID:77870, http://www.chemspider.com/Chemical-Structure.77870.html (accessed 01:32, May 3, 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) = 6.17 Log Kow (Exper. database match) = 5.46 Exper. Ref: Tomlin,C (1997) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 330.01 (Adapted Stein & Brown method) Melting Pt (deg C): 104.52 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000339 (Modified Grain method) MP (exp database): 32 deg C VP (exp database): 3.00E-06 mm Hg at 20 deg C Subcooled liquid VP: 3.52E-006 mm Hg (20 deg C, exp database VP ) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.1002 log Kow used: 5.46 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 0.057 mg/L (20 deg C) Exper. Ref: TOMLIN,C (1997) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.1636 mg/L Wat Sol (Exper. database match) = 0.06 Exper. Ref: TOMLIN,C (1997) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Vinyl/Allyl Halides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.44E-005 atm-m3/mole Group Method: Incomplete Exper Database: 2.57E-05 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.652E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.46 (exp database) Log Kaw used: -2.979 (exp database) Log Koa (KOAWIN v1.10 estimate): 8.439 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -2.9016 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 0.3329 (recalcitrant) Biowin4 (Primary Survey Model) : 3.2404 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0754 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3879 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): 0.000469 Pa (3.52E-006 mm Hg) Log Koa (Koawin est ): 8.439 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00639 Octanol/air (Koa) model: 6.75E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.188 Mackay model : 0.338 Octanol/air (Koa) model: 0.00537 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 6.6043 E-12 cm3/molecule-sec Half-Life = 1.620 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 19.435 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.023261 E-17 cm3/molecule-sec Half-Life = 49.268 Days (at 7E11 mol/cm3) Fraction sorbed to airborne particulates (phi): 0.263 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 8.587E+004 Log Koc: 4.934 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 4.021E-002 L/mol-sec Kb Half-Life at pH 8: 199.518 days Kb Half-Life at pH 7: 5.463 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.854 (BCF = 71.48) log Kow used: 5.46 (expkow database) Volatilization from Water: Henry LC: 2.57E-005 atm-m3/mole (Henry experimental database) Half-Life from Model River: 45.86 hours (1.911 days) Half-Life from Model Lake : 661.8 hours (27.57 days) Removal In Wastewater Treatment: Total removal: 87.78 percent Total biodegradation: 0.74 percent Total sludge adsorption: 86.94 percent Total to Air: 0.10 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.19 37.6 1000 Water 2.75 4.32e+003 1000 Soil 62 8.64e+003 1000 Sediment 35.1 3.89e+004 0 Persistence Time: 6.71e+003 hr
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