Try beta.chemspider
N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-[(4-methyl-6-oxo-6H-benzo[c]chromen-3-yl)oxy]acetamide
Cc1c(ccc2c1oc(=O)c3c2cccc3)OCC(=O)Nc4ccc5c(c4)OCCO5
InChI=1S/C24H19NO6/c1-14-19(9-7-17-16-4-2-3-5-18(16)24(27)31-23(14)17)30-13-22(26)25-15-6-8-20-21(12-15)29-11-10-28-20/h2-9,12H,10-11,13H2,1H3,(H,25,26)
VSEGZZQDPDFQAM-UHFFFAOYSA-N
CSID:1640062, http://www.chemspider.com/Chemical-Structure.1640062.html (accessed 10:38, 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) = 1.46 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 651.42 (Adapted Stein & Brown method) Melting Pt (deg C): 283.33 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.54E-015 (Modified Grain method) Subcooled liquid VP: 3.28E-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): 10.59 log Kow used: 1.46 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 177.07 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Vinyl/Allyl Ethers Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.67E-015 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.355E-016 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.46 (KowWin est) Log Kaw used: -12.824 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 14.284 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4250 Biowin2 (Non-Linear Model) : 0.4548 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2124 (months ) Biowin4 (Primary Survey Model) : 3.6690 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3371 Biowin6 (MITI Non-Linear Model): 0.0444 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.2754 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): 4.37E-010 Pa (3.28E-012 mm Hg) Log Koa (Koawin est ): 14.284 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 6.86E+003 Octanol/air (Koa) model: 47.2 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 = 263.1125 E-12 cm3/molecule-sec Half-Life = 0.041 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 29.269 Min 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 : 1042 Log Koc: 3.018 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Rate constants can NOT be estimated for this structure! Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.421 (BCF = 2.634) log Kow used: 1.46 (estimated) Volatilization from Water: Henry LC: 3.67E-015 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.259E+011 hours (1.358E+010 days) Half-Life from Model Lake : 3.556E+012 hours (1.482E+011 days) Removal In Wastewater Treatment: Total removal: 1.96 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.87 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 0.0131 0.824 1000 Water 37.5 1.44e+003 1000 Soil 62.4 2.88e+003 1000 Sediment 0.0942 1.3e+004 0 Persistence Time: 1.22e+003 hr
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