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8,9-Dibromo-2,3-dihydro[1,4]dioxino[2,3-b]oxanthrene
c1c2c(cc3c1Oc4cc(c(cc4O3)Br)Br)OCCO2
InChI=1S/C14H8Br2O4/c15-7-3-11-12(4-8(7)16)20-14-6-10-9(5-13(14)19-11)17-1-2-18-10/h3-6H,1-2H2
IHIJYSGTZHAVKH-UHFFFAOYSA-N
CSID:21326819, http://www.chemspider.com/Chemical-Structure.21326819.html (accessed 01:59, Jul 5, 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) = 6.17 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 424.86 (Adapted Stein & Brown method) Melting Pt (deg C): 177.50 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.35E-008 (Modified Grain method) Subcooled liquid VP: 2.05E-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): 0.001276 log Kow used: 6.17 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.016864 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.86E-009 atm-m3/mole Group Method: 8.10E-007 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.207E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.17 (KowWin est) Log Kaw used: -6.932 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.102 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8641 Biowin2 (Non-Linear Model) : 0.9510 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.8107 (months ) Biowin4 (Primary Survey Model) : 3.2721 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.7089 Biowin6 (MITI Non-Linear Model): 0.5563 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.9264 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): 0.000273 Pa (2.05E-006 mm Hg) Log Koa (Koawin est ): 13.102 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.011 Octanol/air (Koa) model: 3.1 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.284 Mackay model : 0.468 Octanol/air (Koa) model: 0.996 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 32.3914 E-12 cm3/molecule-sec Half-Life = 0.330 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.963 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.376 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.139E+004 Log Koc: 4.497 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 = 4.052 (BCF = 1.126e+004) log Kow used: 6.17 (estimated) Volatilization from Water: Henry LC: 8.1E-007 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1448 hours (60.32 days) Half-Life from Model Lake : 1.596E+004 hours (665 days) Removal In Wastewater Treatment: Total removal: 92.76 percent Total biodegradation: 0.77 percent Total sludge adsorption: 91.99 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 0.0729 7.92 1000 Water 2.48 1.44e+003 1000 Soil 36.7 2.88e+003 1000 Sediment 60.7 1.3e+004 0 Persistence Time: 4.15e+003 hr
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