Try beta.chemspider
Methyl 7,9-dibromo-8-methoxy-10-oxo-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxylate
COC1=C(C(=O)C2(CC(=NO2)C(=O)OC)C=C1Br)Br
InChI=1S/C11H9Br2NO5/c1-17-8-5(12)3-11(9(15)7(8)13)4-6(14-19-11)10(16)18-2/h3H,4H2,1-2H3
BMEUJRLCQFEPLZ-UHFFFAOYSA-N
CSID:9244435, http://www.chemspider.com/Chemical-Structure.9244435.html (accessed 00:49, Jul 7, 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) = 2.23 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 415.98 (Adapted Stein & Brown method) Melting Pt (deg C): 173.35 (Mean or Weighted MP) VP(mm Hg,25 deg C): 9.86E-008 (Modified Grain method) Subcooled liquid VP: 3.39E-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): 40.76 log Kow used: 2.23 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 606.87 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Vinyl/Allyl Ketones Vinyl/Allyl Halides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.40E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.257E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.23 (KowWin est) Log Kaw used: -8.008 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.238 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.1169 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2811 (weeks-months) Biowin4 (Primary Survey Model) : 3.3922 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2878 Biowin6 (MITI Non-Linear Model): 0.0022 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3900 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): 0.000452 Pa (3.39E-006 mm Hg) Log Koa (Koawin est ): 10.238 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00664 Octanol/air (Koa) model: 0.00425 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.193 Mackay model : 0.347 Octanol/air (Koa) model: 0.254 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 21.2541 E-12 cm3/molecule-sec Half-Life = 0.503 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 6.039 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.190512 E-17 cm3/molecule-sec Half-Life = 6.015 Days (at 7E11 mol/cm3) Fraction sorbed to airborne particulates (phi): 0.27 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 22.03 Log Koc: 1.343 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.377E-006 L/mol-sec Kb Half-Life at pH 8: 1.595E+004 years Kb Half-Life at pH 7: 1.595E+005 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.019 (BCF = 10.45) log Kow used: 2.23 (estimated) Volatilization from Water: Henry LC: 2.4E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.848E+006 hours (2.02E+005 days) Half-Life from Model Lake : 5.289E+007 hours (2.204E+006 days) Removal In Wastewater Treatment: Total removal: 2.52 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.42 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 0.00278 11.1 1000 Water 19.3 900 1000 Soil 80.6 1.8e+003 1000 Sediment 0.101 8.1e+003 0 Persistence Time: 1.53e+003 hr
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