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2-Chloro-N-(2,6-dimethylphenyl)benzamide
Cc1cccc(c1NC(=O)c2ccccc2Cl)C
InChI=1S/C15H14ClNO/c1-10-6-5-7-11(2)14(10)17-15(18)12-8-3-4-9-13(12)16/h3-9H,1-2H3,(H,17,18)
LDDGVYLOHRKRPX-UHFFFAOYSA-N
CSID:260363, http://www.chemspider.com/Chemical-Structure.260363.html (accessed 00:59, 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) = 3.32 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 420.38 (Adapted Stein & Brown method) Melting Pt (deg C): 169.38 (Mean or Weighted MP) VP(mm Hg,25 deg C): 8.54E-008 (Modified Grain method) Subcooled liquid VP: 2.64E-006 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): 30.8 log Kow used: 3.32 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.91802 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.10E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 9.476E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.32 (KowWin est) Log Kaw used: -7.347 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.667 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7610 Biowin2 (Non-Linear Model) : 0.7596 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2147 (months ) Biowin4 (Primary Survey Model) : 3.3760 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2127 Biowin6 (MITI Non-Linear Model): 0.0547 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.5456 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): 0.000352 Pa (2.64E-006 mm Hg) Log Koa (Koawin est ): 10.667 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00852 Octanol/air (Koa) model: 0.0114 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.235 Mackay model : 0.405 Octanol/air (Koa) model: 0.477 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 20.1810 E-12 cm3/molecule-sec Half-Life = 0.530 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 6.360 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.32 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1641 Log Koc: 3.215 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 = 1.853 (BCF = 71.22) log Kow used: 3.32 (estimated) Volatilization from Water: Henry LC: 1.1E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 8.578E+005 hours (3.574E+004 days) Half-Life from Model Lake : 9.358E+006 hours (3.899E+005 days) Removal In Wastewater Treatment: Total removal: 9.54 percent Total biodegradation: 0.16 percent Total sludge adsorption: 9.39 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 0.00728 12.7 1000 Water 9.71 1.44e+003 1000 Soil 89.8 2.88e+003 1000 Sediment 0.531 1.3e+004 0 Persistence Time: 2.74e+003 hr
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