Try beta.chemspider
N-(4-Acetylphenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide
Cc1cc(cc(c1Cl)C)OCC(=O)Nc2ccc(cc2)C(=O)C
InChI=1S/C18H18ClNO3/c1-11-8-16(9-12(2)18(11)19)23-10-17(22)20-15-6-4-14(5-7-15)13(3)21/h4-9H,10H2,1-3H3,(H,20,22)
LFCXOCPOMLPGNR-UHFFFAOYSA-N
CSID:631806, http://www.chemspider.com/Chemical-Structure.631806.html (accessed 13:11, Apr 25, 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) = 4.25 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 489.91 (Adapted Stein & Brown method) Melting Pt (deg C): 207.89 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.68E-010 (Modified Grain method) Subcooled liquid VP: 4.94E-008 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): 1.877 log Kow used: 4.25 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 5.717 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.11E-013 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.321E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.25 (KowWin est) Log Kaw used: -10.896 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 15.146 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8654 Biowin2 (Non-Linear Model) : 0.8724 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9748 (months ) Biowin4 (Primary Survey Model) : 3.3270 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3529 Biowin6 (MITI Non-Linear Model): 0.0797 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.7176 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): 6.59E-006 Pa (4.94E-008 mm Hg) Log Koa (Koawin est ): 15.146 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.455 Octanol/air (Koa) model: 344 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.943 Mackay model : 0.973 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 58.7556 E-12 cm3/molecule-sec Half-Life = 0.182 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.185 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.958 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 832.7 Log Koc: 2.921 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 = 1.731 (BCF = 53.84) log Kow used: 4.25 (estimated) Volatilization from Water: Henry LC: 3.11E-013 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.429E+009 hours (1.429E+008 days) Half-Life from Model Lake : 3.741E+010 hours (1.559E+009 days) Removal In Wastewater Treatment: Total removal: 42.58 percent Total biodegradation: 0.42 percent Total sludge adsorption: 42.16 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 4.37 1000 Water 8.14 1.44e+003 1000 Soil 87.4 2.88e+003 1000 Sediment 4.46 1.3e+004 0 Persistence Time: 2.99e+003 hr
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