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2,4-Dibromo-N,N-dimethylaniline
Brc1cc(Br)ccc1N(C)C
InChI=1S/C8H9Br2N/c1-11(2)8-4-3-6(9)5-7(8)10/h3-5H,1-2H3
JCMIFSXGUYFJNJ-UHFFFAOYSA-N
CSID:9657677, http://www.chemspider.com/Chemical-Structure.9657677.html (accessed 10:20, 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) = 3.95 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 269.21 (Adapted Stein & Brown method) Melting Pt (deg C): 65.78 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00409 (Modified Grain method) Subcooled liquid VP: 0.00985 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): 6.868 log Kow used: 3.95 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 369.32 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.36E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.186E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.95 (KowWin est) Log Kaw used: -3.255 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.205 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.1888 Biowin2 (Non-Linear Model) : 0.0015 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0559 (months ) Biowin4 (Primary Survey Model) : 2.8502 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1564 Biowin6 (MITI Non-Linear Model): 0.0491 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6842 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): 1.31 Pa (0.00985 mm Hg) Log Koa (Koawin est ): 7.205 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.28E-006 Octanol/air (Koa) model: 3.94E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 8.25E-005 Mackay model : 0.000183 Octanol/air (Koa) model: 0.000315 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 32.9105 E-12 cm3/molecule-sec Half-Life = 0.325 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.900 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000133 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 206.4 Log Koc: 2.315 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 = 2.342 (BCF = 219.8) log Kow used: 3.95 (estimated) Volatilization from Water: Henry LC: 1.36E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 73.61 hours (3.067 days) Half-Life from Model Lake : 943.1 hours (39.29 days) Removal In Wastewater Treatment: Total removal: 28.29 percent Total biodegradation: 0.30 percent Total sludge adsorption: 27.45 percent Total to Air: 0.54 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.223 7.8 1000 Water 12.7 1.44e+003 1000 Soil 83.7 2.88e+003 1000 Sediment 3.38 1.3e+004 0 Persistence Time: 1.63e+003 hr
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