Try beta.chemspider
6,6'-Dibromo-3,3'-dimethoxy-2,2',4,4'-tetramethylbiphenyl
Brc2cc(c(OC)c(c2c1c(Br)cc(c(OC)c1C)C)C)C
InChI=1S/C18H20Br2O2/c1-9-7-13(19)15(11(3)17(9)21-5)16-12(4)18(22-6)10(2)8-14(16)20/h7-8H,1-6H3
LWTCPXOTEWVULG-UHFFFAOYSA-N
CSID:9352933, http://www.chemspider.com/Chemical-Structure.9352933.html (accessed 05:36, Jun 1, 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) = 7.89 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 439.84 (Adapted Stein & Brown method) Melting Pt (deg C): 181.83 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.04E-008 (Modified Grain method) Subcooled liquid VP: 8.77E-007 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): 0.0003752 log Kow used: 7.89 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0013983 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.41E-007 atm-m3/mole Group Method: 6.43E-005 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 3.063E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 7.89 (KowWin est) Log Kaw used: -4.856 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.746 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8055 Biowin2 (Non-Linear Model) : 0.5934 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.5653 (recalcitrant) Biowin4 (Primary Survey Model) : 2.8031 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3455 Biowin6 (MITI Non-Linear Model): 0.0643 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6450 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): 0.000117 Pa (8.77E-007 mm Hg) Log Koa (Koawin est ): 12.746 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0257 Octanol/air (Koa) model: 1.37 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.481 Mackay model : 0.672 Octanol/air (Koa) model: 0.991 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 11.3134 E-12 cm3/molecule-sec Half-Life = 0.945 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 11.345 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.577 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 6.741E+004 Log Koc: 4.829 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 = 3.593 (BCF = 3921) log Kow used: 7.89 (estimated) Volatilization from Water: Henry LC: 6.43E-005 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 20.95 hours Half-Life from Model Lake : 402.1 hours (16.75 days) Removal In Wastewater Treatment: Total removal: 94.01 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.23 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 0.0491 22.7 1000 Water 0.702 4.32e+003 1000 Soil 44.2 8.64e+003 1000 Sediment 55.1 3.89e+004 0 Persistence Time: 1.19e+004 hr
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