Try beta.chemspider
2-[(9,10-Dioxo-9,10-dihydro-1-anthracenyl)amino]-2-oxoethyl 1,3-benzodioxole-5-carboxylate
c1ccc2c(c1)C(=O)c3cccc(c3C2=O)NC(=O)COC(=O)c4ccc5c(c4)OCO5
InChI=1S/C24H15NO7/c26-20(11-30-24(29)13-8-9-18-19(10-13)32-12-31-18)25-17-7-3-6-16-21(17)23(28)15-5-2-1-4-14(15)22(16)27/h1-10H,11-12H2,(H,25,26)
RGGKYTRBMDDXOJ-UHFFFAOYSA-N
CSID:3880110, http://www.chemspider.com/Chemical-Structure.3880110.html (accessed 01:49, 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) = 3.42 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 646.95 (Adapted Stein & Brown method) Melting Pt (deg C): 281.24 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.33E-015 (Modified Grain method) Subcooled liquid VP: 4.31E-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): 0.1864 log Kow used: 3.42 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3.9513 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Acrylates Vinyl/Allyl Ethers Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.71E-019 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.919E-014 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.42 (KowWin est) Log Kaw used: -16.819 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 20.239 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2464 Biowin2 (Non-Linear Model) : 0.0166 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2740 (weeks-months) Biowin4 (Primary Survey Model) : 3.5987 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2887 Biowin6 (MITI Non-Linear Model): 0.0295 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.8408 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): 5.75E-010 Pa (4.31E-012 mm Hg) Log Koa (Koawin est ): 20.239 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.22E+003 Octanol/air (Koa) model: 4.26E+007 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 = 191.1877 E-12 cm3/molecule-sec Half-Life = 0.056 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.671 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 5.185000 E-17 cm3/molecule-sec Half-Life = 0.221 Days (at 7E11 mol/cm3) Half-Life = 5.305 Hrs 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 : 10 Log Koc: 1.000 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 4.804E-003 L/mol-sec Kb Half-Life at pH 8: 4.572 years Kb Half-Life at pH 7: 45.718 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.095 (BCF = 12.44) log Kow used: 3.42 (estimated) Volatilization from Water: Henry LC: 3.71E-019 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.27E+015 hours (1.363E+014 days) Half-Life from Model Lake : 3.567E+016 hours (1.486E+015 days) Removal In Wastewater Treatment: Total removal: 11.34 percent Total biodegradation: 0.17 percent Total sludge adsorption: 11.17 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 1.15e-006 1.07 1000 Water 11.7 900 1000 Soil 87.6 1.8e+003 1000 Sediment 0.704 8.1e+003 0 Persistence Time: 1.83e+003 hr
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