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4-(2,2-Dibromovinyl)-2,2,3-trimethyl-1,3-oxazolidine
Br/C(Br)=C/C1N(C)C(OC1)(C)C
InChI=1S/C8H13Br2NO/c1-8(2)11(3)6(5-12-8)4-7(9)10/h4,6H,5H2,1-3H3
WMNWUKKFSTVRSX-UHFFFAOYSA-N
CSID:9349139, http://www.chemspider.com/Chemical-Structure.9349139.html (accessed 01:06, Jul 6, 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) = 2.71 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 284.89 (Adapted Stein & Brown method) Melting Pt (deg C): 73.66 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0015 (Modified Grain method) Subcooled liquid VP: 0.00434 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): 614.6 log Kow used: 2.71 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 33150 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Vinyl/Allyl Halides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.46E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 9.602E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.71 (KowWin est) Log Kaw used: -4.849 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.559 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.2237 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1207 (months ) Biowin4 (Primary Survey Model) : 3.0359 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0399 Biowin6 (MITI Non-Linear Model): 0.0005 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5049 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): 0.579 Pa (0.00434 mm Hg) Log Koa (Koawin est ): 7.559 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.18E-006 Octanol/air (Koa) model: 8.89E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000187 Mackay model : 0.000415 Octanol/air (Koa) model: 0.000711 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 118.9903 E-12 cm3/molecule-sec Half-Life = 0.090 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.079 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.022295 E-17 cm3/molecule-sec Half-Life = 51.402 Days (at 7E11 mol/cm3) Fraction sorbed to airborne particulates (phi): 0.000301 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 75 Log Koc: 1.875 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 = 1.387 (BCF = 24.36) log Kow used: 2.71 (estimated) Volatilization from Water: Henry LC: 3.46E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2928 hours (122 days) Half-Life from Model Lake : 3.208E+004 hours (1337 days) Removal In Wastewater Treatment: Total removal: 3.88 percent Total biodegradation: 0.11 percent Total sludge adsorption: 3.75 percent Total to Air: 0.02 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0714 2.15 1000 Water 18.5 1.44e+003 1000 Soil 81.2 2.88e+003 1000 Sediment 0.241 1.3e+004 0 Persistence Time: 1.42e+003 hr
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