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2-Amino-N-(2-bromophenyl)benzamide
c1ccc(c(c1)C(=O)Nc2ccccc2Br)N
InChI=1S/C13H11BrN2O/c14-10-6-2-4-8-12(10)16-13(17)9-5-1-3-7-11(9)15/h1-8H,15H2,(H,16,17)
KNSXPWPBPXHJHV-UHFFFAOYSA-N
CSID:11854931, http://www.chemspider.com/Chemical-Structure.11854931.html (accessed 03:38, Jul 4, 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) = 3.03 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 451.76 (Adapted Stein & Brown method) Melting Pt (deg C): 190.07 (Mean or Weighted MP) VP(mm Hg,25 deg C): 8.28E-009 (Modified Grain method) Subcooled liquid VP: 4.44E-007 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): 35.8 log Kow used: 3.03 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 18.186 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aromatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.72E-013 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 8.860E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.03 (KowWin est) Log Kaw used: -11.153 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 14.183 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4750 Biowin2 (Non-Linear Model) : 0.1172 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2306 (months ) Biowin4 (Primary Survey Model) : 3.3712 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0474 Biowin6 (MITI Non-Linear Model): 0.0228 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.7730 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): 5.92E-005 Pa (4.44E-007 mm Hg) Log Koa (Koawin est ): 14.183 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0507 Octanol/air (Koa) model: 37.4 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.647 Mackay model : 0.802 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 101.6884 E-12 cm3/molecule-sec Half-Life = 0.105 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.262 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.724 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 992.5 Log Koc: 2.997 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 = 1.632 (BCF = 42.88) log Kow used: 3.03 (estimated) Volatilization from Water: Henry LC: 1.72E-013 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5.808E+009 hours (2.42E+008 days) Half-Life from Model Lake : 6.336E+010 hours (2.64E+009 days) Removal In Wastewater Treatment: Total removal: 5.95 percent Total biodegradation: 0.13 percent Total sludge adsorption: 5.83 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 3.08e-006 2.52 1000 Water 10.6 1.44e+003 1000 Soil 89.1 2.88e+003 1000 Sediment 0.284 1.3e+004 0 Persistence Time: 2.69e+003 hr
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