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4-Bromo-N-(4-sulfamoylphenyl)benzamide
c1cc(ccc1C(=O)Nc2ccc(cc2)S(=O)(=O)N)Br
InChI=1S/C13H11BrN2O3S/c14-10-3-1-9(2-4-10)13(17)16-11-5-7-12(8-6-11)20(15,18)19/h1-8H,(H,16,17)(H2,15,18,19)
XNWNDWGICXNZDB-UHFFFAOYSA-N
CSID:1152420, http://www.chemspider.com/Chemical-Structure.1152420.html (accessed 15:14, Aug 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) = 2.67 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 522.16 (Adapted Stein & Brown method) Melting Pt (deg C): 222.95 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.72E-011 (Modified Grain method) Subcooled liquid VP: 7.52E-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): 30.39 log Kow used: 2.67 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 42.891 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.81E-014 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 8.797E-013 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.67 (KowWin est) Log Kaw used: -11.808 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 14.478 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6783 Biowin2 (Non-Linear Model) : 0.2647 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2240 (months ) Biowin4 (Primary Survey Model) : 3.3872 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0145 Biowin6 (MITI Non-Linear Model): 0.0124 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.4952 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): 1E-006 Pa (7.52E-009 mm Hg) Log Koa (Koawin est ): 14.478 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.99 Octanol/air (Koa) model: 73.8 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.991 Mackay model : 0.996 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 3.7735 E-12 cm3/molecule-sec Half-Life = 2.834 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 34.014 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.993 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 528.3 Log Koc: 2.723 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 = 1.354 (BCF = 22.58) log Kow used: 2.67 (estimated) Volatilization from Water: Henry LC: 3.81E-014 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.896E+010 hours (1.207E+009 days) Half-Life from Model Lake : 3.16E+011 hours (1.316E+010 days) Removal In Wastewater Treatment: Total removal: 3.68 percent Total biodegradation: 0.11 percent Total sludge adsorption: 3.58 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 3.63e-005 68 1000 Water 12.9 1.44e+003 1000 Soil 86.9 2.88e+003 1000 Sediment 0.155 1.3e+004 0 Persistence Time: 2.5e+003 hr
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