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4-Oxo-3-phenyl-4H-chromen-7-yl cyclopropanecarboxylate
c1ccc(cc1)c2coc3cc(ccc3c2=O)OC(=O)C4CC4
InChI=1S/C19H14O4/c20-18-15-9-8-14(23-19(21)13-6-7-13)10-17(15)22-11-16(18)12-4-2-1-3-5-12/h1-5,8-11,13H,6-7H2
DYXAOVSDYQLGGN-UHFFFAOYSA-N
CSID:793442, http://www.chemspider.com/Chemical-Structure.793442.html (accessed 04:34, Apr 24, 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) = 3.49 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 430.00 (Adapted Stein & Brown method) Melting Pt (deg C): 169.05 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5E-008 (Modified Grain method) Subcooled liquid VP: 1.53E-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): 11.73 log Kow used: 3.49 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 23.432 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 : 1.77E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.718E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.49 (KowWin est) Log Kaw used: -7.140 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.630 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5635 Biowin2 (Non-Linear Model) : 0.6582 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6533 (weeks-months) Biowin4 (Primary Survey Model) : 3.6077 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3815 Biowin6 (MITI Non-Linear Model): 0.1104 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3948 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): 0.000204 Pa (1.53E-006 mm Hg) Log Koa (Koawin est ): 10.630 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0147 Octanol/air (Koa) model: 0.0105 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.347 Mackay model : 0.541 Octanol/air (Koa) model: 0.456 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 197.4141 E-12 cm3/molecule-sec Half-Life = 0.054 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.650 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 3.085000 E-17 cm3/molecule-sec Half-Life = 0.371 Days (at 7E11 mol/cm3) Half-Life = 8.915 Hrs Fraction sorbed to airborne particulates (phi): 0.444 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 356 Log Koc: 2.551 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.557E-002 L/mol-sec Kb Half-Life at pH 8: 1.410 years Kb Half-Life at pH 7: 14.102 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.339 (BCF = 2.185) log Kow used: 3.49 (estimated) Volatilization from Water: Henry LC: 1.77E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5.789E+005 hours (2.412E+004 days) Half-Life from Model Lake : 6.316E+006 hours (2.632E+005 days) Removal In Wastewater Treatment: Total removal: 12.81 percent Total biodegradation: 0.18 percent Total sludge adsorption: 12.62 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 0.0152 1.13 1000 Water 13.6 900 1000 Soil 85.4 1.8e+003 1000 Sediment 0.961 8.1e+003 0 Persistence Time: 1.5e+003 hr
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