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2-(2-Furyl)-4-oxo-4H-chromen-3-yl 2,4-dichlorobenzoate
c1ccc2c(c1)c(=O)c(c(o2)c3ccco3)OC(=O)c4ccc(cc4Cl)Cl
InChI=1S/C20H10Cl2O5/c21-11-7-8-12(14(22)10-11)20(24)27-19-17(23)13-4-1-2-5-15(13)26-18(19)16-6-3-9-25-16/h1-10H
FPACJZRESHCZLA-UHFFFAOYSA-N
CSID:1282445, http://www.chemspider.com/Chemical-Structure.1282445.html (accessed 21:56, Jun 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) = 5.22 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 498.03 (Adapted Stein & Brown method) Melting Pt (deg C): 211.68 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.19E-010 (Modified Grain method) Subcooled liquid VP: 3.08E-008 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): 0.1052 log Kow used: 5.22 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.081488 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Vinyl/Allyl Ketones Vinyl/Allyl Ethers Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.24E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.601E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.22 (KowWin est) Log Kaw used: -7.669 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.889 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5046 Biowin2 (Non-Linear Model) : 0.3006 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9590 (months ) Biowin4 (Primary Survey Model) : 3.2221 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2698 Biowin6 (MITI Non-Linear Model): 0.0243 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.9648 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): 4.11E-006 Pa (3.08E-008 mm Hg) Log Koa (Koawin est ): 12.889 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.731 Octanol/air (Koa) model: 1.9 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.963 Mackay model : 0.983 Octanol/air (Koa) model: 0.993 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 97.0588 E-12 cm3/molecule-sec Half-Life = 0.110 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.322 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 10.500000 E-17 cm3/molecule-sec Half-Life = 0.109 Days (at 7E11 mol/cm3) Half-Life = 2.619 Hrs Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.973 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.281E+004 Log Koc: 4.358 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.563E-001 L/mol-sec Kb Half-Life at pH 8: 51.319 days Kb Half-Life at pH 7: 1.405 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 2.478 (BCF = 300.9) log Kow used: 5.22 (estimated) Volatilization from Water: Henry LC: 5.24E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.238E+006 hours (9.325E+004 days) Half-Life from Model Lake : 2.442E+007 hours (1.017E+006 days) Removal In Wastewater Treatment: Total removal: 83.55 percent Total biodegradation: 0.72 percent Total sludge adsorption: 82.84 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 0.0179 1.32 1000 Water 6.77 1.44e+003 1000 Soil 60.1 2.88e+003 1000 Sediment 33.1 1.3e+004 0 Persistence Time: 2.74e+003 hr
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