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4,4'-Dibromo-6,6'-dimethyl-2,2'-bipyridine
Brc1cc(nc(C)c1)c2cc(Br)cc(C)n2
InChI=1S/C12H10Br2N2/c1-7-3-9(13)5-11(15-7)12-6-10(14)4-8(2)16-12/h3-6H,1-2H3
FNXFGJXJCKDNPW-UHFFFAOYSA-N
CSID:10498872, http://www.chemspider.com/Chemical-Structure.10498872.html (accessed 08:28, Apr 24, 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) = 4.25 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 380.21 (Adapted Stein & Brown method) Melting Pt (deg C): 150.16 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.33E-006 (Modified Grain method) Subcooled liquid VP: 2.5E-005 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): 1.609 log Kow used: 4.25 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 22.43 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.37E-010 atm-m3/mole Group Method: 1.77E-010 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 3.720E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.25 (KowWin est) Log Kaw used: -8.252 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.502 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.1642 Biowin2 (Non-Linear Model) : 0.0007 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.5933 (recalcitrant) Biowin4 (Primary Survey Model) : 2.8727 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0769 Biowin6 (MITI Non-Linear Model): 0.0152 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.9930 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): 0.00333 Pa (2.5E-005 mm Hg) Log Koa (Koawin est ): 12.502 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0009 Octanol/air (Koa) model: 0.78 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0315 Mackay model : 0.0672 Octanol/air (Koa) model: 0.984 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 1.8286 E-12 cm3/molecule-sec Half-Life = 5.849 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 70.192 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0493 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1711 Log Koc: 3.233 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 = 2.576 (BCF = 376.7) log Kow used: 4.25 (estimated) Volatilization from Water: Henry LC: 1.77E-010 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 6.117E+006 hours (2.549E+005 days) Half-Life from Model Lake : 6.674E+007 hours (2.781E+006 days) Removal In Wastewater Treatment: Total removal: 42.58 percent Total biodegradation: 0.42 percent Total sludge adsorption: 42.16 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 0.000301 140 1000 Water 3.82 4.32e+003 1000 Soil 93.1 8.64e+003 1000 Sediment 3.13 3.89e+004 0 Persistence Time: 8.32e+003 hr
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