Try beta.chemspider
2-(4,6-Dibromo-2-biphenylyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
B1(OC(C(O1)(C)C)(C)C)c2cc(cc(c2c3ccccc3)Br)Br
InChI=1S/C18H19BBr2O2/c1-17(2)18(3,4)23-19(22-17)14-10-13(20)11-15(21)16(14)12-8-6-5-7-9-12/h5-11H,1-4H3
XATPQGHJOGUTJL-UHFFFAOYSA-N
CSID:10033162, http://www.chemspider.com/Chemical-Structure.10033162.html (accessed 14:46, Jul 3, 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) = 5.75 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 432.06 (Adapted Stein & Brown method) Melting Pt (deg C): 176.74 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.63E-008 (Modified Grain method) Subcooled liquid VP: 1.36E-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): 0.02188 log Kow used: 5.75 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.6561 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : Incomplete Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 9.561E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Can Not Estimate (can not calculate HenryLC) Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.0786 Biowin2 (Non-Linear Model) : 0.0003 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.5571 (recalcitrant) Biowin4 (Primary Survey Model) : 2.6068 (weeks-months) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0629 Biowin6 (MITI Non-Linear Model): 0.0045 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6005 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): 0.000181 Pa (1.36E-006 mm Hg) Log Koa (): not available Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0165 Octanol/air (Koa) model: not available Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.374 Mackay model : 0.57 Octanol/air (Koa) model: not available Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 4.2335 E-12 cm3/molecule-sec Half-Life = 2.527 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 30.318 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.472 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.083E+006 Log Koc: 6.319 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 = 3.726 (BCF = 5322) log Kow used: 5.75 (estimated) Volatilization from Water: Henry LC: 9.56E-007 atm-m3/mole (calculated from VP/WS) Half-Life from Model River: 1284 hours (53.49 days) Half-Life from Model Lake : 1.418E+004 hours (590.8 days) Removal In Wastewater Treatment: Total removal: 90.73 percent Total biodegradation: 0.76 percent Total sludge adsorption: 89.97 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 0.095 60.6 1000 Water 1.82 4.32e+003 1000 Soil 58.6 8.64e+003 1000 Sediment 39.5 3.89e+004 0 Persistence Time: 9.67e+003 hr
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