Try beta.chemspider
2-(2-Furyl)-4-oxo-4H-chromen-3-yl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate
CC(C(=O)Oc1c(=O)c2ccccc2oc1c3ccco3)N4C(=O)c5ccccc5C4=O
InChI=1S/C24H15NO7/c1-13(25-22(27)14-7-2-3-8-15(14)23(25)28)24(29)32-21-19(26)16-9-4-5-10-17(16)31-20(21)18-11-6-12-30-18/h2-13H,1H3
AOKNYXXSJAVPDR-UHFFFAOYSA-N
CSID:3395448, http://www.chemspider.com/Chemical-Structure.3395448.html (accessed 01:43, Jul 4, 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) = 3.57 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 650.60 (Adapted Stein & Brown method) Melting Pt (deg C): 282.95 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.82E-015 (Modified Grain method) Subcooled liquid VP: 3.45E-012 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): 1.8 log Kow used: 3.57 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.33168 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Imides Vinyl/Allyl Ketones Vinyl/Allyl Ethers Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.89E-014 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.513E-015 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.57 (KowWin est) Log Kaw used: -11.799 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 15.369 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8560 Biowin2 (Non-Linear Model) : 0.9419 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3099 (weeks-months) Biowin4 (Primary Survey Model) : 3.5121 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1316 Biowin6 (MITI Non-Linear Model): 0.0175 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5011 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): 4.6E-010 Pa (3.45E-012 mm Hg) Log Koa (Koawin est ): 15.369 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 6.52E+003 Octanol/air (Koa) model: 574 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 114.5614 E-12 cm3/molecule-sec Half-Life = 0.093 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.120 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): 1 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1333 Log Koc: 3.125 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 5.670E-002 L/mol-sec Kb Half-Life at pH 8: 141.476 days Kb Half-Life at pH 7: 3.873 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.208 (BCF = 16.14) log Kow used: 3.57 (estimated) Volatilization from Water: Henry LC: 3.89E-014 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.119E+010 hours (1.3E+009 days) Half-Life from Model Lake : 3.402E+011 hours (1.418E+010 days) Removal In Wastewater Treatment: Total removal: 14.72 percent Total biodegradation: 0.20 percent Total sludge adsorption: 14.53 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 0.0373 1.21 1000 Water 16 900 1000 Soil 82.6 1.8e+003 1000 Sediment 1.37 8.1e+003 0 Persistence Time: 1.22e+003 hr
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