Try beta.chemspider
2,3,5,6-Tetrabromo-1,4-benzenediol
c1(c(c(c(c(c1Br)Br)O)Br)Br)O
InChI=1S/C6H2Br4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11/h11-12H
DTFQULSULHRJOA-UHFFFAOYSA-N
CSID:68349, http://www.chemspider.com/Chemical-Structure.68349.html (accessed 06:21, 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) = 4.59 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 378.97 (Adapted Stein & Brown method) Melting Pt (deg C): 156.06 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.24E-009 (Modified Grain method) MP (exp database): 244 deg C Subcooled liquid VP: 1.71E-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): 0.9637 log Kow used: 4.59 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 994.83 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Phenols Quinone/Hydroquinone Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.47E-012 atm-m3/mole Group Method: 2.45E-012 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 4.208E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.59 (KowWin est) Log Kaw used: -10.221 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 14.811 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3351 Biowin2 (Non-Linear Model) : 0.0004 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.8272 (months ) Biowin4 (Primary Survey Model) : 2.6989 (weeks-months) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2413 Biowin6 (MITI Non-Linear Model): 0.0585 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.9975 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): 0.000228 Pa (1.71E-006 mm Hg) Log Koa (Koawin est ): 14.811 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0132 Octanol/air (Koa) model: 159 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.322 Mackay model : 0.513 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 1.0269 E-12 cm3/molecule-sec Half-Life = 10.416 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.417 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3380 Log Koc: 3.529 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 = 2.436 (BCF = 273.1) log Kow used: 4.59 (estimated) Volatilization from Water: Henry LC: 2.45E-012 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 4.931E+008 hours (2.054E+007 days) Half-Life from Model Lake : 5.379E+009 hours (2.241E+008 days) Removal In Wastewater Treatment: Total removal: 60.67 percent Total biodegradation: 0.56 percent Total sludge adsorption: 60.11 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 7.74e-005 250 1000 Water 7.47 1.44e+003 1000 Soil 83.5 2.88e+003 1000 Sediment 9.08 1.3e+004 0 Persistence Time: 3.14e+003 hr
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