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3,5-Dibromo-N-(3-chlorophenyl)-2-hydroxybenzamide
c1cc(cc(c1)Cl)NC(=O)c2cc(cc(c2O)Br)Br
InChI=1S/C13H8Br2ClNO2/c14-7-4-10(12(18)11(15)5-7)13(19)17-9-3-1-2-8(16)6-9/h1-6,18H,(H,17,19)
NOBGQGXPNOIMQT-UHFFFAOYSA-N
CSID:931572, http://www.chemspider.com/Chemical-Structure.931572.html (accessed 18:53, Apr 25, 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) = 5.72 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 493.42 (Adapted Stein & Brown method) Melting Pt (deg C): 209.53 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.94E-011 (Modified Grain method) Subcooled liquid VP: 5.4E-009 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): 0.14 log Kow used: 5.72 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 13.19 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Phenols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.88E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.264E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.72 (KowWin est) Log Kaw used: -9.114 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 14.834 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4774 Biowin2 (Non-Linear Model) : 0.0108 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.8267 (months ) Biowin4 (Primary Survey Model) : 3.0355 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0857 Biowin6 (MITI Non-Linear Model): 0.0134 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6259 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): 7.2E-007 Pa (5.4E-009 mm Hg) Log Koa (Koawin est ): 14.834 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.17 Octanol/air (Koa) model: 167 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.993 Mackay model : 0.997 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 9.0988 E-12 cm3/molecule-sec Half-Life = 1.176 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 14.107 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.995 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2603 Log Koc: 3.416 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 = 3.305 (BCF = 2020) log Kow used: 5.72 (estimated) Volatilization from Water: Henry LC: 1.88E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 6.271E+007 hours (2.613E+006 days) Half-Life from Model Lake : 6.841E+008 hours (2.85E+007 days) Removal In Wastewater Treatment: Total removal: 90.50 percent Total biodegradation: 0.76 percent Total sludge adsorption: 89.74 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 0.0113 28.2 1000 Water 3.25 1.44e+003 1000 Soil 55.2 2.88e+003 1000 Sediment 41.5 1.3e+004 0 Persistence Time: 4.64e+003 hr
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