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- Double-bond stereo
N-(4-Bromophenyl)-N-{(E)-[(4-bromophenyl)imino]methyl}-4-hydroxybenzamide
c1cc(ccc1C(=O)N(/C=N/c2ccc(cc2)Br)c3ccc(cc3)Br)O
InChI=1S/C20H14Br2N2O2/c21-15-3-7-17(8-4-15)23-13-24(18-9-5-16(22)6-10-18)20(26)14-1-11-19(25)12-2-14/h1-13,25H/b23-13+
MEAMBINXFLAJJP-YDZHTSKRSA-N
CSID:4048181, http://www.chemspider.com/Chemical-Structure.4048181.html (accessed 17:35, Jul 6, 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) = 5.49 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 546.76 (Adapted Stein & Brown method) Melting Pt (deg C): 234.44 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1E-012 (Modified Grain method) Subcooled liquid VP: 1.81E-010 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): 0.08194 log Kow used: 5.49 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.9896 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Phenols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.84E-015 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.614E-012 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.49 (KowWin est) Log Kaw used: -12.553 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 18.043 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6271 Biowin2 (Non-Linear Model) : 0.0299 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.8815 (months ) Biowin4 (Primary Survey Model) : 3.1017 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1261 Biowin6 (MITI Non-Linear Model): 0.0043 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.9621 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): 2.41E-008 Pa (1.81E-010 mm Hg) Log Koa (Koawin est ): 18.043 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 124 Octanol/air (Koa) model: 2.71E+005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 43.3801 E-12 cm3/molecule-sec Half-Life = 0.247 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.959 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.52E+005 Log Koc: 5.182 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 = 3.526 (BCF = 3354) log Kow used: 5.49 (estimated) Volatilization from Water: Henry LC: 6.84E-015 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.864E+011 hours (7.766E+009 days) Half-Life from Model Lake : 2.033E+012 hours (8.472E+010 days) Removal In Wastewater Treatment: Total removal: 88.15 percent Total biodegradation: 0.74 percent Total sludge adsorption: 87.41 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 0.000166 5.92 1000 Water 4.09 1.44e+003 1000 Soil 61.5 2.88e+003 1000 Sediment 34.4 1.3e+004 0 Persistence Time: 4.27e+003 hr
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