Try beta.chemspider
- Double-bond stereo
(2E)-2-(2-Furylmethylene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 1,3-benzodioxole-5-carboxylate
c1cc(oc1)/C=C/2\C(=O)c3ccc(cc3O2)OC(=O)c4ccc5c(c4)OCO5
InChI=1S/C21H12O7/c22-20-15-5-4-14(10-17(15)28-19(20)9-13-2-1-7-24-13)27-21(23)12-3-6-16-18(8-12)26-11-25-16/h1-10H,11H2/b19-9+
FETFPKFBJMNJSH-DJKKODMXSA-N
CSID:1386424, http://www.chemspider.com/Chemical-Structure.1386424.html (accessed 17:40, May 21, 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) = 2.37 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 503.58 (Adapted Stein & Brown method) Melting Pt (deg C): 214.27 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.15E-010 (Modified Grain method) Subcooled liquid VP: 2.23E-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): 40.68 log Kow used: 2.37 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 27.708 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Acrylates Vinyl/Allyl Ketones Vinyl/Allyl Ethers Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.86E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.617E-012 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.37 (KowWin est) Log Kaw used: -9.119 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.489 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.1866 Biowin2 (Non-Linear Model) : 0.0349 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4098 (weeks-months) Biowin4 (Primary Survey Model) : 3.5692 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3460 Biowin6 (MITI Non-Linear Model): 0.0532 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.7071 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): 2.97E-006 Pa (2.23E-008 mm Hg) Log Koa (Koawin est ): 11.489 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.01 Octanol/air (Koa) model: 0.0757 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.973 Mackay model : 0.988 Octanol/air (Koa) model: 0.858 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 273.2553 E-12 cm3/molecule-sec Half-Life = 0.039 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 28.183 Min Ozone Reaction: OVERALL Ozone Rate Constant = 15.685000 E-17 cm3/molecule-sec Half-Life = 0.073 Days (at 7E11 mol/cm3) Half-Life = 1.754 Hrs Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.981 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 88.41 Log Koc: 1.946 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.154E-001 L/mol-sec Kb Half-Life at pH 8: 69.516 days Kb Half-Life at pH 7: 1.903 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.284 (BCF = 1.921) log Kow used: 2.37 (estimated) Volatilization from Water: Henry LC: 1.86E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 6.106E+007 hours (2.544E+006 days) Half-Life from Model Lake : 6.661E+008 hours (2.776E+007 days) Removal In Wastewater Treatment: Total removal: 2.78 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.68 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 0.007 0.612 1000 Water 19 900 1000 Soil 80.9 1.8e+003 1000 Sediment 0.124 8.1e+003 0 Persistence Time: 1.37e+003 hr
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