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2-Chloro-N-(5-methyl-1,2-oxazol-3-yl)benzamide
Cc1cc(no1)NC(=O)c2ccccc2Cl
InChI=1S/C11H9ClN2O2/c1-7-6-10(14-16-7)13-11(15)8-4-2-3-5-9(8)12/h2-6H,1H3,(H,13,14,15)
MOTWKVACXVQFCY-UHFFFAOYSA-N
CSID:717711, http://www.chemspider.com/Chemical-Structure.717711.html (accessed 10:37, May 29, 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) = 2.11 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 394.07 (Adapted Stein & Brown method) Melting Pt (deg C): 163.12 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.41E-007 (Modified Grain method) Subcooled liquid VP: 1.16E-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): 439 log Kow used: 2.11 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 223.18 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.05E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.128E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.11 (KowWin est) Log Kaw used: -9.367 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.477 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7173 Biowin2 (Non-Linear Model) : 0.7112 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3405 (weeks-months) Biowin4 (Primary Survey Model) : 3.4779 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2234 Biowin6 (MITI Non-Linear Model): 0.0611 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.9830 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): 0.00155 Pa (1.16E-005 mm Hg) Log Koa (Koawin est ): 11.477 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00194 Octanol/air (Koa) model: 0.0736 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0655 Mackay model : 0.134 Octanol/air (Koa) model: 0.855 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 152.6664 E-12 cm3/molecule-sec Half-Life = 0.070 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.841 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0999 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 527.1 Log Koc: 2.722 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 = 0.927 (BCF = 8.457) log Kow used: 2.11 (estimated) Volatilization from Water: Henry LC: 1.05E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 8.578E+007 hours (3.574E+006 days) Half-Life from Model Lake : 9.358E+008 hours (3.899E+007 days) Removal In Wastewater Treatment: Total removal: 2.36 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.26 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 0.000105 1.68 1000 Water 21.1 900 1000 Soil 78.8 1.8e+003 1000 Sediment 0.0935 8.1e+003 0 Persistence Time: 1.48e+003 hr
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