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4-Bromo-N-(2-methyl-2-propanyl)benzamide
CC(C)(C)NC(=O)c1ccc(cc1)Br
InChI=1S/C11H14BrNO/c1-11(2,3)13-10(14)8-4-6-9(12)7-5-8/h4-7H,1-3H3,(H,13,14)
FZMGMDLGMVXWCF-UHFFFAOYSA-N
CSID:524399, http://www.chemspider.com/Chemical-Structure.524399.html (accessed 09:23, May 13, 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) = 3.46 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 359.86 (Adapted Stein & Brown method) Melting Pt (deg C): 128.26 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.15E-006 (Modified Grain method) Subcooled liquid VP: 7.69E-005 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): 24.44 log Kow used: 3.46 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 293.84 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.53E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 9.860E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.46 (KowWin est) Log Kaw used: -6.732 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.192 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5415 Biowin2 (Non-Linear Model) : 0.2078 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2308 (months ) Biowin4 (Primary Survey Model) : 3.3767 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3452 Biowin6 (MITI Non-Linear Model): 0.1761 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6865 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): 0.0103 Pa (7.69E-005 mm Hg) Log Koa (Koawin est ): 10.192 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000293 Octanol/air (Koa) model: 0.00382 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0105 Mackay model : 0.0229 Octanol/air (Koa) model: 0.234 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 7.1208 E-12 cm3/molecule-sec Half-Life = 1.502 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 18.025 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0167 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 493.3 Log Koc: 2.693 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 = 1.961 (BCF = 91.47) log Kow used: 3.46 (estimated) Volatilization from Water: Henry LC: 4.53E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.069E+005 hours (8619 days) Half-Life from Model Lake : 2.257E+006 hours (9.403E+004 days) Removal In Wastewater Treatment: Total removal: 12.15 percent Total biodegradation: 0.18 percent Total sludge adsorption: 11.98 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 0.0213 36 1000 Water 9.43 1.44e+003 1000 Soil 89.8 2.88e+003 1000 Sediment 0.734 1.3e+004 0 Persistence Time: 2.76e+003 hr
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